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5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv.
SpectraBase Compound ID CetHM620Dnj
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-OVBUINCOSA-N
Mol Weight 428.7 g/mol
Molecular Formula C28H44O3
Exact Mass 428.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tT0Uer3mVC
Name 5,8-Epidioxy-2H-cyclopenta[a]phenanthrene, ergosta-6,22-dien-3-ol deriv.
CAS Registry Number 2061-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O3
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-OVBUINCOSA-N
Molecular Weight 428.657 g/mol
SMILES O[C@@]1(C[C@]23C=C[C@@]4(C5[C@](C([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])CC5)(C)CCC4[C@]2(CC1)C)OO3)[H]
SPLASH splash10-0gvk-0029300000-3473314ac4684c04eb2f
Source of Spectrum B-39-619-7
Synonyms 5.alpha.,8.alpha.-Ergosta-6,22-dien-3.beta.-ol, 5,8-epidioxy- Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3.beta.,5.alpha.,8.alpha.,22E)- (3.beta.,5.alpha.,8.alpha.,22E)-5,8-epidioxyergosta-6,22-dien-3-ol 5,8-Epidioxy-5-.alpha.,8-.alpha.-ergosta-6,22-dien-3-.beta.-ol 5.alpha.,8.alpha.-Epidioxy-24(R)-methylcholesta-6,22-dien-3.beta.-ol Ergosta-6,22-dien-3-ol, 5,8-epidioxy-, (3-beta,5-alpha,8-alpha,22E)- Ergosterol 5.alpha.,8.alpha.-epidioxide Ergosterol endoperoxide Ergosterol peroxide Ergosterol-5,8-peroxide Peroxyergosterol BRN 0096852 NSC 31324
Wiley ID 1380879