Summary

Molecular formula: C29H44O3
SMILES: C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2CC[C@@H]2[C@]1(C)CCC(=O)[C@H]2C)O)C
InChI: InChI=1S/C29H44O3/c1-17(2)18(3)8-9-19(4)21-12-15-29(32)23-11-10-22-20(5)24(30)13-14-27(22,6)26(23)25(31)16-28(21,29)7/h17,19-22,32H,3,8-16H2,1-2,4-7H3/t19-,20+,21-,22+,27+,28-,29-/m1/s1
InChIKey: ROAOZKUPOZIBKH-TVHFOBTRSA-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:
antcamphorol k

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Chemical structure download