Summary

Molecular formula: C28H40O2
SMILES: CC([C@H](C=C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC(=O)C2=CC(=O)CC[C@]12C)C)C)C
InChI: InChI=1S/C28H40O2/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/h7-8,15-19,22-24H,9-14H2,1-6H3/t18-,19+,22+,23-,24-,27+,28+/m0/s1
InChIKey: RMKUNHROPPZENV-KBENHAETSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(=O)C=C3C4CCCC4CCC3C2CC1

Scaffold Graph/Node level:
OC1CCC2C(C1)C(O)CC1C3CCCC3CCC21

Scaffold Graph level:
CC1CCC2C(C1)C(C)CC1C3CCCC3CCC21

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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:
ergosta-4,7,22-triene-3,6-dione

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External chemical identifiers:
CID_69759051

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Chemical structure download