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18-Norpregna-8,11,13-trien-3-one, 20,21-bis(acetyloxy)-17-methyl-, (5.beta.,17.alpha.,20R)-
SpectraBase Compound ID KUatPQGsEyP
InChI InChI=1S/C25H32O5/c1-15(26)29-14-23(30-16(2)27)25(4)12-10-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)7-8-22(20)25/h7-8,17,23H,5-6,9-14H2,1-4H3/t17-,23+,24+,25+/m1/s1
InChIKey ZWBWLUGWOIBJQQ-XPVKZQAGSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmKJZhcffbv
Name 18-Norpregna-8,11,13-trien-3-one, 20,21-bis(acetyloxy)-17-methyl-, (5.beta.,17.alpha.,20R)-
CAS Registry Number 71379-36-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-15(26)29-14-23(30-16(2)27)25(4)12-10-20-19-6-5-17-13-18(28)9-11-24(17,3)21(19)7-8-22(20)25/h7-8,17,23H,5-6,9-14H2,1-4H3/t17-,23+,24+,25+/m1/s1
InChIKey ZWBWLUGWOIBJQQ-XPVKZQAGSA-N
Molecular Weight 412.526 g/mol
SMILES [C@@]12(c3c(c4CC[C@@](c4cc3)([C@@](OC(=O)C)(COC(=O)C)[H])C)CC[C@@]2(CC(CC1)=O)[H])C
SPLASH splash10-014i-0190000000-2807c697d4be6731a89b
Source of Spectrum KC-1979-1054-0
Synonyms (1R)-2-(acetyloxy)-1-[(5beta,17beta)-10,17-dimethyl-3-oxogona-8,11,13-trien-17-yl]ethyl acetate 20.alpha.,21-diacetoxy-17.beta.-methyl-18-nor-5.beta.-pregna-8,11,13-trien-3-one
Wiley ID 1374543