Summary

Molecular formula: C28H44O3
SMILES: CC([C@H](/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=C[C@@H]([C@]23[C@]1(C)CC[C@@H]([C@@H]3O2)O)O)C)C)C
InChI: InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-19-15-24(30)28-25(31-28)23(29)12-14-27(28,6)22(19)11-13-26(20,21)5/h7-8,15-18,20-25,29-30H,9-14H2,1-6H3/b8-7+/t17-,18+,20+,21-,22-,23-,24-,25-,26+,27+,28-/m0/s1
InChIKey: VSKOELNSOFBWQU-VNQQHNGCSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCC3OC32C1

Scaffold Graph/Node level:
C1CC2CCC3C(CCC45OC4CCCC35)C2C1

Scaffold Graph level:
C1CC2CCC3C(CCC45CC4CCCC35)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:
gargalol a

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External chemical identifiers:
CID_101961211; NPATLAS_NPA006456; CHEMSPIDER_28288926; ZINC_ZINC000255273980

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Chemical structure download