(8S,20S)-des-A,B-8-benzoyloxy-20-[(4R)-hydroxy-pent-(1E)-en-yl]pregnane

SpectraBase Compound ID	DIVuqGT0IAQ
InChI	InChI=1S/C24H34O3/c1-17(9-7-10-18(2)25)20-14-15-21-22(13-8-16-24(20,21)3)27-23(26)19-11-5-4-6-12-19/h4-7,9,11-12,17-18,20-22,25H,8,10,13-16H2,1-3H3/b9-7+/t17-,18+,20+,21-,22-,24+/m0/s1
InChIKey	YXSVMGOGJXOSAQ-HIDKSIMLSA-N Google Search
Mol Weight	370.5 g/mol
Molecular Formula	C24H34O3
Exact Mass	370.250795 g/mol

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SpectraBase Spectrum ID	Dh0mzUx0zhM
Name	(8S,20S)-des-A,B-8-benzoyloxy-20-[(4R)-hydroxy-pent-(1E)-en-yl]pregnane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H34O3
InChI	InChI=1S/C24H34O3/c1-17(9-7-10-18(2)25)20-14-15-21-22(13-8-16-24(20,21)3)27-23(26)19-11-5-4-6-12-19/h4-7,9,11-12,17-18,20-22,25H,8,10,13-16H2,1-3H3/b9-7+/t17-,18+,20+,21-,22-,24+/m0/s1
InChIKey	YXSVMGOGJXOSAQ-HIDKSIMLSA-N
Instrument Name	Kratos DS-50/MS-55
Ionization Type	EI
Molecular Weight	370.533 g/mol
Optical Rotation	[a]D = -28.8 (c = 0.8, CHCl3)
SMILES	O[C@@](C\C=C\[C@@]([C@]1(CC[C@@]2([C@]1(C)CCC[C@@]2(OC(c1ccccc1)=O)[H])[H])[H])(C)[H])(C)[H]
SPLASH	splash10-0bti-0920000000-e4736d3f07019e904160
Source of Spectrum	WO2010006169A2
Wiley ID	1842723