页面 2 | 天然产物 - 小分子和化合物库

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香紫苏内酯
- ≥97%
CAS号 : 564-20-5 Compound CID : 929262

分子式: C₁₆H₂₆O₂ 分子量: 250.38

IUPAC Name: (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one

SMILES: CC1(CCCC2(C1CCC3(C2CC(=O)O3)C)C)C

InChIKey: IMKJGXCIJJXALX-SHUKQUCYSA-N

InChI: InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11-,12+,15-,16+/m0/s1
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羽扇豆醇
- ≥95%
CAS号 : 545-47-1 Compound CID : 259846

分子式: C₃₀H₅₀O 分子量: 426.72

IUPAC Name: (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

InChIKey: MQYXUWHLBZFQQO-QGTGJCAVSA-N

InChI: InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
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益母草碱
- ≥98%(HPLC)
CAS号 : 24697-74-3 Compound CID : 161464

分子式: C₁₄H₂₁N₃O₅ 分子量: 311.33

IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N

InChIKey: WNGSUWLDMZFYNZ-UHFFFAOYSA-N

InChI: InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)
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丁酸芳樟酯
- ≥95%
CAS号 : 78-36-4 Compound CID : 62321

分子式: C₁₄H₂₄O₂ 分子量: 224.34

IUPAC Name: 3,7-dimethylocta-1,6-dien-3-yl butanoate

SMILES: CCCC(=O)OC(C)(CCC=C(C)C)C=C

InChIKey: FHLGUOHLUFIAAA-UHFFFAOYSA-N

InChI: InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
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扁豆凝集素 (LCA/LcH)

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甘草查尔酮A
- ≥96%
CAS号 : 58749-22-7 Compound CID : 5318998

分子式: C₂₁H₂₂O₄ 分子量: 338.4

IUPAC Name: (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one

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

InChIKey: KAZSKMJFUPEHHW-DHZHZOJOSA-N

InChI: InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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佛手苷内酯
- ≥98%
CAS号 : 484-20-8 Compound CID : 2355

分子式: C₁₂H₈O₄ 分子量: 216.19

IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
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α-倒捻子素
- ≥98%(HPLC)
CAS号 : 6147-11-1 Compound CID : 5281650

分子式: C₂₄H₂₆O₆ 分子量: 410.46

IUPAC Name: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one

SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C

InChIKey: GNRIZKKCNOBBMO-UHFFFAOYSA-N

InChI: InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
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甲基柏木酮
CAS号 : 32388-55-9 Compound CID : 16220111

分子式: C₁₇H₂₆O 分子量: 246.39

IUPAC Name: 1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone

SMILES: CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C

InChIKey: YBUIAJZFOGJGLJ-SWRJLBSHSA-N

InChI: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
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D-(+)-蜜二糖一水合物
CAS号 : 585-99-9

分子式: C₁₂H₂₂O₁₁·H₂O 分子量: 342.3
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羟基积雪草苷
- ≥98%
CAS号 : 34540-22-2 Compound CID : 45356919

分子式: C₄₈H₇₈O₂₀ 分子量: 975.12

IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aR,6bR,8R,8aR,9R,10R,11R,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O

InChIKey: BNMGUJRJUUDLHW-CIZDPPTDSA-N

InChI: InChI=1S/C48H78O20/c1-19-10-11-48(13-12-46(6)22(28(48)20(19)2)8-9-27-44(4)14-24(52)39(61)45(5,18-50)38(44)23(51)15-47(27,46)7)43(62)68-42-35(59)32(56)30(54)26(66-42)17-63-40-36(60)33(57)37(25(16-49)65-40)67-41-34(58)31(55)29(53)21(3)64-41/h8,19-21,23-42,49-61H,9-18H2,1-7H3/t19-,20+,21+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42+,44-,45+,46+,47-,48+/m1/s1
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二氢茉莉酮酸甲酯（反式和顺式混合物）
- ≥96%
CAS号 : 24851-98-7

分子式: C₁₃H₂₂O₃ 分子量: 226.31

IUPAC Name: methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

SMILES: CCCCCC1C(CCC1=O)CC(=O)OC

InChIKey: KVWWIYGFBYDJQC-UHFFFAOYSA-N

InChI: InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3
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