Summary

Molecular formula: C30H46O5
SMILES: CC(C(=C)CC([C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C(=O)C1=C2CC[C@@H]2[C@]1(C)CC[C@H]([C@H]2C)O)C)C)C(=O)O
InChI: InChI=1S/C30H46O5/c1-15(14-16(2)18(4)28(34)35)17(3)22-10-11-23-20-8-9-21-19(5)24(31)12-13-29(21,6)25(20)26(32)27(33)30(22,23)7/h15,17-19,21-24,27,31,33H,2,8-14H2,1,3-7H3,(H,34,35)/t15?,17-,18?,19+,21+,22-,23+,24-,27+,29+,30-/m1/s1
InChIKey: GLLKVXMGGNXHKF-OZVKTTHUSA-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 m

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Chemical structure download