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Pregnan-20-one, 3,7-bis(acetyloxy)-12-hydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
SpectraBase Compound ID JsyHg3R6yyM
InChI InChI=1S/C25H38O6/c1-13(26)18-6-7-19-23-20(12-22(29)25(18,19)5)24(4)9-8-17(30-14(2)27)10-16(24)11-21(23)31-15(3)28/h16-23,29H,6-12H2,1-5H3/t16?,17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey RCUSCARLAAAGEJ-QCVITDBQSA-N
Mol Weight 434.6 g/mol
Molecular Formula C25H38O6
Exact Mass 434.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43kYgK7c0W
Name Pregnan-20-one, 3,7-bis(acetyloxy)-12-hydroxy-, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
CAS Registry Number 63533-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O6
InChI InChI=1S/C25H38O6/c1-13(26)18-6-7-19-23-20(12-22(29)25(18,19)5)24(4)9-8-17(30-14(2)27)10-16(24)11-21(23)31-15(3)28/h16-23,29H,6-12H2,1-5H3/t16?,17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey RCUSCARLAAAGEJ-QCVITDBQSA-N
Molecular Weight 434.573 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@]3([C@@](CC4[C@@]([C@]3(C1)[H])(CC[C@@](OC(=O)C)(C4)[H])C)(OC(=O)C)[H])[H])(CC[C@@]2(C(=O)C)[H])[H])C)[H]
SPLASH splash10-00fr-0096000000-c4e1a1a57d2648e2affb
Source of Spectrum O-13-406-2
Synonyms (3alpha,7alpha,12alpha)-3-(acetyloxy)-12-hydroxy-20-oxopregnan-7-yl acetate 3.alpha.,7.alpha.-diacetoxy-12.alpha.-hydroxypregnan-20-one
Wiley ID 1382998