Summary

Molecular formula: C28H40O6
SMILES: CC(C(=C)CC[C@H](C1CCC2[C@]1(O)CC(=O)C1=C2C(=O)CC2[C@]1(C)CC[C@H]([C@H]2C)O)C)C(=O)O
InChI: InChI=1S/C28H40O6/c1-14(16(3)26(32)33)6-7-15(2)18-8-9-19-24-22(30)12-20-17(4)21(29)10-11-27(20,5)25(24)23(31)13-28(18,19)34/h15-21,29,34H,1,6-13H2,2-5H3,(H,32,33)/t15-,16?,17+,18?,19?,20?,21-,27+,28+/m1/s1
InChIKey: XASDPPRLCXWXLO-VBBGSXOOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2=O

Scaffold Graph/Node level:
OC1CC2CCCC2C2C(O)CC3CCCCC3C12

Scaffold Graph level:
CC1CC2CCCC2C2C(C)CC3CCCCC3C12

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Chemical classification

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

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Synonymous chemical names:
(r,s)-antcin h

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Chemical structure download