Summary

Molecular formula: C28H44O3
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)O[C@H]3[C@H](C1=C3[C@@](CC[C@H]21)(C)[C@H](CC3)[C@@H](/C=C/[C@@H](C(C)C)C)C)O)C
InChI: InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22-,24-,25-,26+,27+,28-/m0/s1
InChIKey: MEIJIKXWOMTKCH-SDNRFBISSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2=C3CC4OC45CCCCC5C3CCC2C1

Scaffold Graph/Node level:
C1CC2CCC3C(CC4OC45CCCCC35)C2C1

Scaffold Graph level:
C1CC2CCC3C(CC4CC45CCCCC35)C2C1

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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:
5α,6α-epoxy-(22e,24r)-ergosta-8(14),22-diene-3β,7α-diol

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External chemical identifiers:
ZINC_ZINC000049878481

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Chemical structure download