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Spirosta-3,5-dien
SpectraBase Compound ID EHqEj9Q5Eur
InChI InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3
InChIKey YEQBGJNMHDZXRG-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C27H40O2
Exact Mass 396.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFQxDGGIslE
Name Spirosta-3,5-dien
Alternate Name(s) (25R)-spirosta-3,5-diene .delta.(3,5)-Diosgenin Diosgenin, dehydro Spirosta-3,5-diene, (25R)- SR-I-61
CAS Registry Number 1672-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O2
InChI InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3
InChIKey YEQBGJNMHDZXRG-UHFFFAOYSA-N
Molecular Weight 396.615 g/mol
SMILES CC1C2(OC3C1C1(C)C(C4C(C5(C)C(C=CCC5)=CC4)CC1)C3)CCC(C)CO2
SPLASH splash10-05ub-0900000000-771df6713dea7713c9ca
Source of Spectrum W5-1989-33183-32353
Wiley ID 1367759