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Pregnan-20-one, 3,7,21-tris(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-

View entire compound with spectra: 1 MS (GC)

Pregnan-20-one, 3,7,21-tris(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-
SpectraBase Compound ID 3oKEj5GR9sH
InChI InChI=1S/C27H40O7/c1-15(28)32-14-23(31)20-6-7-21-25-22(9-11-27(20,21)5)26(4)10-8-19(33-16(2)29)12-18(26)13-24(25)34-17(3)30/h18-22,24-25H,6-14H2,1-5H3/t18-,19+,20+,21-,22-,24+,25-,26-,27+/m0/s1
InChIKey MJIMPKBQTHWFRL-QRLKCPOJSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pWzxaxtpWn
Name Pregnan-20-one, 3,7,21-tris(acetyloxy)-, (3.alpha.,5.beta.,7.alpha.)-
CAS Registry Number 109271-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O7
InChI InChI=1S/C27H40O7/c1-15(28)32-14-23(31)20-6-7-21-25-22(9-11-27(20,21)5)26(4)10-8-19(33-16(2)29)12-18(26)13-24(25)34-17(3)30/h18-22,24-25H,6-14H2,1-5H3/t18-,19+,20+,21-,22-,24+,25-,26-,27+/m0/s1
InChIKey MJIMPKBQTHWFRL-QRLKCPOJSA-N
Molecular Weight 476.610 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC[C@@]1(C(COC(=O)C)=O)[H])[H])C
SPLASH splash10-0a4i-0090300000-f6e6d14c44c83a5945d8
Source of Spectrum H-69-1848-5
Synonyms (3alpha,5beta,7alpha)-3,21-bis(acetyloxy)-20-oxopregnan-7-yl acetate 3.alpha.,7.alpha.-trihydroxy-5.beta.-pregnan-20-one triacetete Acetic acid[2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl]ester Acetic acid[2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]ester [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl]acetate [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl]ethanoate [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate Acetic acid [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate [2-[(3R,5S,7R,8R,9S,10S,13S,14S,17S)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
Wiley ID 1394338