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3b-Acetoxy-(25R)-5a-spirostane
SpectraBase Compound ID GNp9RubWf71
InChI InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3
InChIKey LVRAKYNQYKVPIK-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O4
Exact Mass 458.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YHIdGkgx3
Name Spirostan-3-ol, acetate, (3.beta.,5.alpha.,25R)-
Alternate Name(s) Spirostan-3-yl acetate 3-Episarsasapogenin acetate 5.alpha.-Spirostan-3.beta.-ol, acetate, (25R)- 5.alpha.-Spirostan-3.beta.-ol, acetate, (25S)- Acetyltigogenin Neotigogenin acetate Sarsasapogenin acetate Smilagenin, acetate Spirostan-3-ol, acetate, (3.beta.,5.alpha.,25S)- Tigogenin acetate EINECS 219-777-4
CAS Registry Number 2530-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O4
InChI InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3
InChIKey LVRAKYNQYKVPIK-UHFFFAOYSA-N
Molecular Weight 458.683 g/mol
SMILES CC12C3C(OC4(C3C)CCC(C)CO4)CC2C2C(C3(C)C(CC(OC(C)=O)CC3)CC2)CC1
SPLASH splash10-000i-4913000000-8c91b486287d27af721a
Source of Spectrum AD-0-3894-0
Wiley ID 61187