Summary

Molecular formula: C28H44O3
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C
InChI: InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey: VXOZCESVZIRHCJ-KGHQQZOUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23OOC14CCCCC4C2CCC1CCCC13

Scaffold Graph/Node level:
C1CCC23CCC4(OO2)C2CCCC2CCC4C3C1

Scaffold Graph level:
C1CCC23CCC4(CC2)C2CCCC2CCC4C3C1

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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:
5ɑ,8ɑ-epidioxy-22e-ergosta-6,22-dien-3β-ol, 5α,8α-epidioxy-(22e,24r)-ergosta-6,22-dien-3β-ol, 5α,8α-epidioxy-(22e,24r)-ergosta-6,9(11),22-trien-3β-ol, 5α,8α-epidioxy-22e-ergosta-6,22-dien-3β-ol, 5α,8α-epidioxyergosta-6,22-dien-3β-ol, ergosterol 5α,8α- peroxide, ergosterol peroxide, ergosterol peroxide/3-β-hydroxy-5α,8α-epidioxyergosta-6,22-diene

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External chemical identifiers:
CID_5351516; CAS_2061-64-5; NPATLAS_NPA018965; CHEMSPIDER_4508532; ZINC_ZINC000038139718; Molport_MolPort-039-338-362

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Chemical structure download