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(20S)-3-Oxo-5.beta.-cholan-O-24,20-lactone
SpectraBase Compound ID Bj4icrgsTKR
InChI InChI=1S/C24H36O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h15,17-20H,4-14H2,1-3H3/t15-,17+,18+,19+,20+,22+,23+,24+/m1/s1
InChIKey AFHABPUJVBGEFY-FDKRWHBGSA-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 4PNNcblGl6
Name (20S)-3-Oxo-5.beta.-cholan-O-24,20-lactone
Appearance Non-crystalline substance
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-22-11-8-16(25)14-15(22)4-5-17-18-6-7-20(23(18,2)12-9-19(17)22)24(3)13-10-21(26)27-24/h15,17-20H,4-14H2,1-3H3/t15-,17+,18+,19+,20+,22+,23+,24+/m1/s1
InChIKey AFHABPUJVBGEFY-FDKRWHBGSA-N
Instrument Name JEOL JMS-Automass 150
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.817
Molecular Weight 372.549 g/mol
Reported Formula C24H36O3
SMILES C1C[C@]2([C@@](CC1=O)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@]1(OC(CC1)=O)C)[H])[H])C)[H])[H])[H])C
SPLASH splash10-0wa1-0096000000-29ff0dc4038ec5be884d
Source of Spectrum ARK-2003-177-10 (DOI: 10.3998/ark.5550190.0004.817)
Wiley ID 1900047