页面 3 | 天然产物 - 小分子和化合物库

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厚朴酚
- ≥98%(HPLC)
CAS号 : 528-43-8 Compound CID : 72300

分子式: C₁₈H₁₈O₂ 分子量: 266.33

IUPAC Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol

SMILES: C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O

InChIKey: VVOAZFWZEDHOOU-UHFFFAOYSA-N

InChI: InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
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8-甲氧基补骨脂素
- ≥98%
CAS号 : 298-81-7 Compound CID : 4114

分子式: C₁₂H₈O₄ 分子量: 216.19

IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
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麦芽糖浆
- ~20% in H2O
CAS号 : 69-79-4

分子式: C₁₂H₂₂O₁₁ 分子量: 342.3

IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey: GUBGYTABKSRVRQ-QUYVBRFLSA-N

InChI: InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
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3-甲基黄酮-8-甲酸
- ≥98%
CAS号 : 3468-01-7 Compound CID : 77016

分子式: C₁₇H₁₂O₄ 分子量: 280.28

IUPAC Name: 3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O)C3=CC=CC=C3

InChIKey: KMMBBZOSQNLLMN-UHFFFAOYSA-N

InChI: InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)
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(1S)-(-)-10-巯基异冰片
- ≥98%
CAS号 : 71242-58-5

分子式: C₁₀H₁₈OS 分子量: 186.31

IUPAC Name: (1S)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-ol

SMILES: CC1(C2CCC1(C(C2)O)CS)C

InChIKey: PYQMNINTTPIRIT-SFVIPPHHSA-N

InChI: InChI=1S/C10H18OS/c1-9(2)7-3-4-10(9,6-12)8(11)5-7/h7-8,11-12H,3-6H2,1-2H3/t7?,8?,10-/m1/s1
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麦芽四糖
- ≥97%
CAS号 : 34612-38-9 Compound CID : 446495

分子式: C₂₄H₄₂O₂₁ 分子量: 666.58

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O

InChIKey: LUEWUZLMQUOBSB-ZLBHSGTGSA-N

InChI: InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1
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7-MAC
- ≥98%
CAS号 : 56610-72-1 Compound CID : 12882026

分子式: C₂₄H₂₄N₆O₄S₂ 分子量: 524.61

IUPAC Name: benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChIKey: QGXKMJVEULWQSB-VWNXMTODSA-N

InChI: InChI=1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1
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3-(4-甲基苯亚甲基)-樟脑
- ≥98%
CAS号 : 36861-47-9 Compound CID : 6440721

分子式: C₁₈H₂₂O 分子量: 254.37

IUPAC Name: (3Z)-1,7,7-trimethyl-3-[(4-methylphenyl)methylidene]bicyclo[2.2.1]heptan-2-one

SMILES: CC1=CC=C(C=C1)C=C2C3CCC(C2=O)(C3(C)C)C

InChIKey: HEOCBCNFKCOKBX-KAMYIIQDSA-N

InChI: InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11-
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重酒石酸去甲肾上腺素一水合物
- ≥98%(HPLC)
CAS号 : 108341-18-0 Compound CID : 3047796

分子式: C₈H₁₁NO₃ · C₄H₆O₆ · H₂O 分子量: 337.28

IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioic acid;hydrate

SMILES: C1=CC(=C(C=C1C(CN)O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O

InChIKey: LNBCGLZYLJMGKP-LUDZCAPTSA-N

InChI: InChI=1S/C8H11NO3.C4H6O6.H2O/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10;/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10);1H2/t8-;1-,2-;/m01./s1
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柚皮苷
- ≥98%
CAS号 : 10236-47-2

分子式: C₂₇H₃₂O₁₄ 分子量: 580.53

IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

InChIKey: DFPMSGMNTNDNHN-ZPHOTFPESA-N

InChI: InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
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新芒果苷
- ≥98%
CAS号 : 64809-67-2 Compound CID : 6918448

分子式: C₂₅H₂₈O₁₆ 分子量: 584.48

IUPAC Name: 1,3,6-trihydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one

SMILES: C1=C2C(=CC(=C1OC3C(C(C(C(O3)CO)O)O)O)O)OC4=C(C2=O)C(=C(C(=C4)O)C5C(C(C(C(O5)CO)O)O)O)O

InChIKey: VUWOVGXVRYBSGI-IRXABLMPSA-N

InChI: InChI=1S/C25H28O16/c26-4-12-17(31)20(34)22(36)24(39-12)14-8(29)3-11-15(19(14)33)16(30)6-1-10(7(28)2-9(6)38-11)40-25-23(37)21(35)18(32)13(5-27)41-25/h1-3,12-13,17-18,20-29,31-37H,4-5H2/t12-,13-,17-,18-,20+,21+,22-,23-,24+,25-/m1/s1
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新绿原酸
- ≥99%
CAS号 : 906-33-2 Compound CID : 5280633

分子式: C₁₆H₁₈O₉ 分子量: 354.31

IUPAC Name: (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

InChIKey: CWVRJTMFETXNAD-NXLLHMKUSA-N

InChI: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
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