Summary

Molecular formula: C33H51NO5
SMILES: OC(=O)CCC(C(=O)O)NO[C@H]1CC[C@]2(C(=CC=C3C2CC[C@]2(C3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C
InChI: InChI=1S/C33H51NO5/c1-20(2)21(3)7-8-22(4)26-11-12-27-25-10-9-23-19-24(39-34-29(31(37)38)13-14-30(35)36)15-17-32(23,5)28(25)16-18-33(26,27)6/h7-10,20-22,24,26-29,34H,11-19H2,1-6H3,(H,35,36)(H,37,38)/b8-7+/t21-,22+,24-,26+,27?,28?,29?,32-,33+/m0/s1
InChIKey: OKRGGGNYUAEEQK-NYUOFKHQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3CCCC3C2=C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
ergosterol-3-o-β-d-glucopyranoside

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Chemical structure download