Summary

Molecular formula: C28H42O2
SMILES: CC(C(/C=C/[C@H]([C@H]1CCC2[C@]1(C)CCC1C2=C[C@@H](C2=CC(=O)CC[C@]12C)O)C)C)C
InChI: InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15-19,22-24,26,30H,9-14H2,1-6H3/b8-7+/t18?,19-,22-,23?,24?,26+,27-,28-/m1/s1
InChIKey: IVVQZKHUQOPDBT-INWHESTFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CC=C3C4CCCC4CCC3C2CC1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)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:
6 a -hydroxy-ergosta-4,7,22-trien-3-one

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Chemical structure download