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Methyl 3-oxo-4-cholen-24-oate
SpectraBase Compound ID 7qXmK9Jd9JP
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h15-16,19-22H,5-14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey WDIPFMUQXPGENA-RYVXGLMXSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0muCndpTIb
Name Methyl 3-oxo-4-cholen-24-oate
Appearance Colorless amorphous solids
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.282095081 u
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h15-16,19-22H,5-14H2,1-4H3/t16-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey WDIPFMUQXPGENA-RYVXGLMXSA-N
Instrument Name JEOL JMS-Automass 150
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.817
Molecular Weight 386.576 g/mol
SMILES C1C[C@]2(C(=CC1=O)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCC(OC)=O)(C)[H])[H])[H])C)[H])[H])C
SPLASH splash10-004i-0093000000-6f7bbb0d9e7198247f8b
Source of Spectrum ARK-2003-177-12 (DOI: 10.3998/ark.5550190.0004.817)
Wiley ID 1900049