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12-Oxospirostan-3-yl acetate
SpectraBase Compound ID umaeagzBf8
InChI InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3
InChIKey CVKZWRTYHCDWTE-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFqSfE1gZi7
Name 12-Oxospirostan-3-yl acetate
CAS Registry Number 915-35-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3
InChIKey CVKZWRTYHCDWTE-UHFFFAOYSA-N
Molecular Weight 472.666 g/mol
SMILES CC12C3C(OC4(C3C)CCC(C)CO4)CC2C2C(C3(C)C(CC(OC(C)=O)CC3)CC2)CC1=O
SPLASH splash10-000i-3900000000-f15631b3248897296ad6
Source of Spectrum IC-1209-0-0
Synonyms 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)- Hecogenin, acetate Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)- AI3-44894 EINECS 213-021-7
Wiley ID 1393455