For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(20S,22R)-1.alpha.,3.beta.-Bis[(methoxycarbonyl)oxy]-25-[(methoxymethyl)oxy]-22-butyl-5,7-cholestadien-24-one

View entire compound with spectra: 1 MS (GC)

(20S,22R)-1.alpha.,3.beta.-Bis[(methoxycarbonyl)oxy]-25-[(methoxymethyl)oxy]-22-butyl-5,7-cholestadien-24-one
SpectraBase Compound ID KDzddKVxZ41
InChI InChI=1S/C37H58O9/c1-10-11-12-24(19-31(38)35(3,4)44-22-41-7)23(2)28-15-16-29-27-14-13-25-20-26(45-33(39)42-8)21-32(46-34(40)43-9)37(25,6)30(27)17-18-36(28,29)5/h13-14,23-24,26,28-30,32H,10-12,15-22H2,1-9H3/t23-,24+,26+,28+,29-,30-,32-,36+,37-/m0/s1
InChIKey OPBWJXQOBKRMBY-ZWIJOBQRSA-N
Mol Weight 646.9 g/mol
Molecular Formula C37H58O9
Exact Mass 646.408083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AZeAiu9QFQy
Name (20S,22R)-1.alpha.,3.beta.-Bis[(methoxycarbonyl)oxy]-25-[(methoxymethyl)oxy]-22-butyl-5,7-cholestadien-24-one
Alternate Name(s) (1S,2R,3S,5R,11R,14R,15R)-14-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxoheptan-2-yl]-3-[(methoxycarbonyl)oxy]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-5-yl methyl carbonate Carbonic acid[(1S,3R,9S,10R,13R,14R,17R)-17-[(1S,2R)-2-butyl-4-keto-5-(methoxymethoxy)-1,5-dimethyl-hexyl]-1-carbomethoxyoxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl ester Carbonic acid[(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxoheptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl ester [(1S,3R,9S,10R,13R,14R,17R)-17-[(1S,2R)-2-butyl-5-(methoxymethoxy)-1,5-dimethyl-4-oxo-hexyl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl carbonate [(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxidanylidene-heptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl carbonate [(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxoheptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]methyl carbonate Carbonic acid [(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxoheptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl ester [(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxoheptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate [(1S,3R,9S,10R,13R,14R,17R)-17-[(1S,2R)-2-butyl-5-(methoxymethoxy)-1,5-dimethyl-4-oxo-hexyl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate [(1S,3R,9S,10R,13R,14R,17R)-17-[(2S,3R)-3-butyl-6-(methoxymethoxy)-6-methyl-5-oxidanylidene-heptan-2-yl]-1-methoxycarbonyloxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] methyl carbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H58O9
InChI InChI=1S/C37H58O9/c1-10-11-12-24(19-31(38)35(3,4)44-22-41-7)23(2)28-15-16-29-27-14-13-25-20-26(45-33(39)42-8)21-32(46-34(40)43-9)37(25,6)30(27)17-18-36(28,29)5/h13-14,23-24,26,28-30,32H,10-12,15-22H2,1-9H3/t23-,24+,26+,28+,29-,30-,32-,36+,37-/m0/s1
InChIKey OPBWJXQOBKRMBY-ZWIJOBQRSA-N
Molecular Weight 646.862 g/mol
SMILES C1=2[C@@]([C@]3([C@@](OC(=O)OC)(C[C@@](CC3=CC2)(OC(=O)OC)[H])[H])C)(CC[C@]2([C@]1(CC[C@@]2([C@]([C@@](CC(C(OCOC)(C)C)=O)(CCCC)[H])(C)[H])[H])[H])C)[H]
SPLASH splash10-0f89-0923410000-2f8007011e46319d8f2c
Source of Spectrum J-63-4458-16
Wiley ID 1412924