Summary

Molecular formula: C27H42O2
SMILES: CCC(/C=C/C(C1CCC2C1(C)CCC1[C@@]32C=C[C@]2(O3)C1(C)CCC(C2)O)C)C
InChI: InChI=1S/C27H42O2/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)29-26/h7-8,15-16,18-23,28H,6,9-14,17H2,1-5H3/b8-7+/t18?,19?,20?,21?,22?,23?,24?,25?,26-,27+/m1/s1
InChIKey: PVINRKSCUKBIOV-OKYFRUPUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23OC14CCCCC4C2CCC1CCCC13

Scaffold Graph/Node level:
C1CCC23CCC4(O2)C2CCCC2CCC4C3C1

Scaffold Graph level:
C1CCC23CCC4(C2)C2CCCC2CCC4C3C1

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Chemical classification

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

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Synonymous chemical names:
ergosta-5α,8α-epidioxy-6,22-dien-3β-ol(ergosteryl peroxide)

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Chemical structure download