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3b-Hydroxy-(25R)-5a-spirostan-12-one
SpectraBase Compound ID CfgkjdTC11u
InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3
InChIKey QOLRLLFJMZLYQJ-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35ncB0rmH51
Name 3-Hydroxyspirostan-12-one
CAS Registry Number 467-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3
InChIKey QOLRLLFJMZLYQJ-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES OC1CC2C(C)(C3C(C4CC5C(C4(C)C(C3)=O)C(C3(O5)CCC(C)CO3)C)CC2)CC1
SPLASH splash10-00li-0935200000-d98f5417d9608dc60127
Source of Spectrum CD-506-0-0
Synonyms Disalagenin 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, (25R)- Hecogenin Hocogenin EINECS 207-392-4 NSC 115921
Wiley ID 1381717