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ACETIC ACID 10-HYDROXYMETHYL-4,4,13-TRIMETHYL-3-OXO-2,3,4,5,6,7,9,10,11,12,13,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17

View entire compound with spectra: 2 MS (GC)

ACETIC ACID 10-HYDROXYMETHYL-4,4,13-TRIMETHYL-3-OXO-2,3,4,5,6,7,9,10,11,12,13,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17
SpectraBase Compound ID DcQNn4OlmYs
InChI InChI=1S/C23H34O4/c1-14(25)27-20-8-6-16-15-5-7-18-21(2,3)19(26)10-12-23(18,13-24)17(15)9-11-22(16,20)4/h17-18,20,24H,5-13H2,1-4H3/t17?,18?,20?,22-,23-/m0/s1
InChIKey VGTLINGYJGORAR-WKKPVBNHSA-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 HnPUH5N6BQl
Name 19-HYDROXY-4,4-DIMETHYL-3-OXOANDROST-8(14)-EN-17-YL ACETATE
CAS Registry Number 73480-24-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(25)27-20-8-6-16-15-5-7-18-21(2,3)19(26)10-12-23(18,13-24)17(15)9-11-22(16,20)4/h17-18,20,24H,5-13H2,1-4H3/t17?,18?,20?,22-,23-/m0/s1
InChIKey VGTLINGYJGORAR-WKKPVBNHSA-N
Molecular Weight 374.521 g/mol
Nominal Mass 374 u
Number of Peaks 305
SMILES OC[C@@]12C3CC[C@@]4(C(CCC4=C3CCC1C(C(CC2)=O)(C)C)OC(C)=O)C
SPLASH splash10-01pk-3952000000-ce91990c9a7dfe0f5229
Source File Reference LMCM-18865-940Q
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (2S,15S)-2-(hydroxymethyl)-6,6,15-trimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-10-en-14-yl acetate ACETIC ACID 10-HYDROXYMETHYL-4,4,13-TRIMETHYL-3-OXO-2,3,4,5,6,7,9,10,11,12,13,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17
Wiley ID 8_13330