Summary

Molecular formula: C28H40O5
SMILES: O=C1CC[C@]2(C(=C1)C=CC1=C3[C@@]([C@@H](C[C@H]21)O)(C)[C@H](C[C@H]3O)[C@@H]([C@H]1OC([C@H]([C@@H]1O)C)(C)C)C)C
InChI: InChI=1S/C28H40O5/c1-14(25-24(32)15(2)26(3,4)33-25)19-12-21(30)23-18-8-7-16-11-17(29)9-10-27(16,5)20(18)13-22(31)28(19,23)6/h7-8,11,14-15,19-22,24-25,30-32H,9-10,12-13H2,1-6H3/t14-,15-,19+,20-,21+,22+,24-,25+,27-,28-/m0/s1
InChIKey: FRSKOLKLHJBWOV-QCRCLYHDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3=C4CCC(CC5CCCO5)C4CCC3C2CC1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C2CCC2C(CC4CCCO4)CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C2CCC2C(CC4CCCC4)CCC23)C1

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Chemical classification

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

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Synonymous chemical names:
(12β,15β,22r,23s,24s)-22,25-epoxy-12,15,23-trihydroxyergost-4,6,8(14)-trien-3-one

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External chemical identifiers:
NPATLAS_NPA007845

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Chemical structure download