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12-Oxospirostan-3-yl acetate

View entire compound with spectra: 1 MS (GC)

12-Oxospirostan-3-yl acetate
SpectraBase Compound ID 7IJ6kb8yREJ
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/t16?,17?,19-,20-,21?,22?,23?,24?,26?,27?,28?,29?/m0/s1
InChIKey CVKZWRTYHCDWTE-MUJIQAACSA-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 GyTOAusUyj3
Name 12-Oxospirostan-3-yl acetate
Alternate Name(s) 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)- Hecogenin acetate Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)- Spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25R)- AI3-44894 EINECS 213-021-7
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/t16?,17?,19-,20-,21?,22?,23?,24?,26?,27?,28?,29?/m0/s1
InChIKey CVKZWRTYHCDWTE-MUJIQAACSA-N
Molecular Weight 472.666 g/mol
SMILES C12(C(C3CC[C@@]4(C(C3CC2=O)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC2C1C(C1(OCC(CC1)C)O2)C)C
SPLASH splash10-000i-4901000000-c6631275ca14373d8dd6
Wiley ID 1496863