Summary

Molecular formula: C31H44O6
SMILES: CC(=O)OC1CC2[C@H](C)[CH](=O)CC[C@@]2(C2=C1C1CCC([C@@]1(C)CC2=O)[C@@H](CCC(=C)C(C(=O)O)C)C)C
InChI: InChI=1S/C31H45O6/c1-16(18(3)29(35)36)8-9-17(2)21-10-11-22-27-26(37-20(5)32)14-23-19(4)24(33)12-13-30(23,6)28(27)25(34)15-31(21,22)7/h17-19,21-24,26H,1,8-15H2,2-7H3,(H,35,36)/t17-,18?,19+,21?,22?,23?,26?,30+,31-/m1/s1
InChIKey: ZDBDOISTWZUBHT-KNUPCUMQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ergostane steroids

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Synonymous chemical names:
antcin g

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Chemical structure download