Summary

Molecular formula: C29H40O6
SMILES: C[C@H](C(=C)CC[C@H](C1CCC2[C@]1(C)CC(=O)C1=C2C(=O)CC2[C@]1(C)CCC(=O)[C@]2(C)O)C)C(=O)O
InChI: InChI=1S/C29H40O6/c1-15(17(3)26(33)34)7-8-16(2)18-9-10-19-24-20(30)13-22-27(4,12-11-23(32)29(22,6)35)25(24)21(31)14-28(18,19)5/h16-19,22,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18?,19?,22?,27+,28-,29-/m1/s1
InChIKey: JIKGKDQSOZSLRY-DESFJTTJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3CCCC3CC(C)C21

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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:
(25s)-camphoratins c

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Chemical structure download