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20-Hydroxypregna-5,14-dien-3-yl acetate
SpectraBase Compound ID ZVgKs0as7U
InChI InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,8,14,17-19,21,24H,6-7,9-13H2,1-4H3/t14?,17?,18?,19-,21?,22+,23-/m1/s1
InChIKey LCMVLMCNJMJHOP-BQJKYAHISA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zpeX2yi6y
Name 20-HYDROXYPREGNA-5,14-DIEN-3-YL ACETATE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 358.250794952 u
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,8,14,17-19,21,24H,6-7,9-13H2,1-4H3/t14?,17?,18?,19-,21?,22+,23-/m1/s1
InChIKey LCMVLMCNJMJHOP-BQJKYAHISA-N
Molecular Weight 358.522 g/mol
Nominal Mass 358 u
Number of Peaks 304
SMILES OC([C@]1(CC=C2C3CC=C4CC(CC[C@@]4(C3CC[C@]12C)C)OC(C)=O)[H])C
SPLASH splash10-052g-5920000000-87fc9d474190ab7b6763
Source File Reference LMCM-13759-615W
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2R,14S,15R)-14-(1-hydroxyethyl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,11-dien-5-yl acetate ACETIC ACID 17-(1-HYDROXY-ETHYL)-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ESTER
Wiley ID 8_14568