Summary

Molecular formula: C31H48O6
SMILES: C=C(C(C(=O)O)C)CC[C@H]([C@@]1(C)CC[C@@H]2[C@]1(C)[C@@H](O)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C
InChI: InChI=1S/C31H48O6/c1-16(18(3)27(36)37)9-10-17(2)30(7)14-11-19-23-20(32)15-21-28(4,5)22(33)12-13-29(21,6)24(23)25(34)26(35)31(19,30)8/h17-22,26,32-33,35H,1,9-15H2,2-8H3,(H,36,37)/t17-,18?,19+,20+,21+,22-,26+,29+,30-,31-/m1/s1
InChIKey: ZEPDCUKIKBGCSG-WVBYCQNXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCC2C2CCC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2CCC3CCCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

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Synonymous chemical names:
antcin n

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Chemical structure download