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Spirostan
SpectraBase Compound ID 2ybcHpM9rTY
InChI InChI=1S/C27H44O2/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/h17-24H,5-16H2,1-4H3
InChIKey INLFWQCRAJUDCR-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPfqAcgXkgK
Name Spirostan
CAS Registry Number 5012-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/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/h17-24H,5-16H2,1-4H3
InChIKey INLFWQCRAJUDCR-UHFFFAOYSA-N
Molecular Weight 400.647 g/mol
SMILES CC1C2(OC3C1C1(C)C(C4C(C5(C)C(CCCC5)CC4)CC1)C3)CCC(C)CO2
SPLASH splash10-05mx-9510000000-737bf5cfca128181817f
Source of Spectrum AH-93-1033-1
Synonyms (25R)-5.alpha.-Spirostan Spirostan, (5.alpha.,25R)- 5.alpha.-Spirostan, (20R,25R)- 3-Deoxytigogenin 5.alpha.,14.beta.-Spirostan, (25R)- 3-Desoxysmilagenin 5.alpha.,25D-Spirostane 5.alpha.-Spirostan, (25R)-
Wiley ID 1369672