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Pregna-5,16-dien-3-one, 20-hydroxy-16-methyl-, cyclic 1,2-ethanediyl acetal, (20R)-
SpectraBase Compound ID 6vHOKXIkquF
InChI InChI=1S/C24H36O3/c1-5-20-22(3)9-8-18-17(19(22)15-23(20,4)25)7-6-16-14-24(26-12-13-27-24)11-10-21(16,18)2/h5-6,17-19,25H,7-15H2,1-4H3/b20-5-/t17-,18+,19+,21+,22+,23+/m1/s1
InChIKey ZQFDWQZJAJNDKJ-ZDEBHDHNSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iz6YV4yfzC8
Name Pregna-5,16-dien-3-one, 20-hydroxy-16-methyl-, cyclic 1,2-ethanediyl acetal, (20R)-
CAS Registry Number 115040-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-5-20-22(3)9-8-18-17(19(22)15-23(20,4)25)7-6-16-14-24(26-12-13-27-24)11-10-21(16,18)2/h5-6,17-19,25H,7-15H2,1-4H3/b20-5-/t17-,18+,19+,21+,22+,23+/m1/s1
InChIKey ZQFDWQZJAJNDKJ-ZDEBHDHNSA-N
Molecular Weight 372.549 g/mol
SMILES O[C@@]1(\C([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC2(OCCO2)C4)C)[H])(C1)[H])C)=C/C)C
SPLASH splash10-0k96-9602000000-49940783bcd13e2ab569
Source of Spectrum F-43-3833-9
Synonyms (E)-3,3-Ethylenedioxy-16.alpha.-methylpregna-5,17(20)-dien-16-ol (1'S,2'R,10'R,11'S,13'S,14'Z,15'S)-14'-ethylidene-2',13',15'-trimethylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-13'-ol (E)-3,3-Ethienedioxy-16.alpha.-methylpregna-5,17(20)-dien-16-ol Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane], pregna-5,16-dien-3-one deriv. (Z)-3,3-Ethylenedioxy-16.alpha.-methylpregna-5,17(20)-dien-16-ol 3,3-Ethylenedioxy-16-methylpregna-15,16-diene-20-ol 3,3-Ethylenedioxy-16-methylpregna-5,16-dien-20-ol
Wiley ID 1355825