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Spirostan-3-one, (5.alpha.,25R)-
SpectraBase Compound ID 8iShbTLhWqj
InChI InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3
InChIKey CIBAPVLFORANSS-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C27H42O3
Exact Mass 414.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36WoyzY09nl
Name Spirostan-3-one, (5.alpha.,25R)-
CAS Registry Number 470-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O3
InChI InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24H,5-15H2,1-4H3
InChIKey CIBAPVLFORANSS-UHFFFAOYSA-N
Molecular Weight 414.630 g/mol
SMILES CC1C2(OC3C1C1(C)C(C4C(C5(C)C(CC(=O)CC5)CC4)CC1)C3)CCC(C)CO2
SPLASH splash10-000i-0911000000-a67f0fd660d0cee46a0b
Source of Spectrum KO-3-86-4
Synonyms Spirostan-3-one (5alpha,25R)spirostan-3-one 3-Dehydro tigogenin Spirostan-3-one, (5.alpha.,20.beta.,25R)- 5.alpha.-Spirostan-3-one, (25R)- Sarsasapogenone Spirostan-3-one, (5.beta.,25S)- Spirostan-3-one, (5alpha,25R)- Tigogenone Yuccagenone
Wiley ID 1375676