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3a-Acetoxy-6s-(hydroxymethyl)-pregna-5(10)-en-20-one
SpectraBase Compound ID Dy4pJQLR6am
InChI InChI=1S/C23H34O4/c1-13(25)21-6-7-22-20-10-15(12-24)19-11-16(27-14(2)26)4-5-17(19)18(20)8-9-23(21,22)3/h15-16,18,20-22,24H,4-12H2,1-3H3/t15-,16-,18+,20+,21+,22-,23+/m0/s1
InChIKey FWQRJAPFIJADRF-LTQPOFTFSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SDrbGHkkd6
Name 3a-Acetoxy-6s-(hydroxymethyl)-pregna-5(10)-en-20-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-13(25)21-6-7-22-20-10-15(12-24)19-11-16(27-14(2)26)4-5-17(19)18(20)8-9-23(21,22)3/h15-16,18,20-22,24H,4-12H2,1-3H3/t15-,16-,18+,20+,21+,22-,23+/m0/s1
InChIKey FWQRJAPFIJADRF-LTQPOFTFSA-N
Literature Reference DOI 10.1021/ol301532w
Molecular Weight 374.521 g/mol
SMILES OC[C@]1(C=2C[C@@](OC(=O)C)(CCC2[C@@]2([C@](C1)([H])[C@@]1(CC[C@@]([C@@]1(C)CC2)(C(C)=O)[H])[H])[H])[H])[H]
SPLASH splash10-01ow-5953000000-512be77922fc22ac87c2
Source of Spectrum A1-14-3692/SM11-7e
Synonyms (3S,6R,8S,9S,13S,14S,17S)-17-acetyl-6-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Wiley ID 1750355