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Cholesta-5,7-diene-3,24,25-triol, 3,24-diacetate, (3.beta.,24R)-

View entire compound with spectra: 1 MS (GC)

Cholesta-5,7-diene-3,24,25-triol, 3,24-diacetate, (3.beta.,24R)-
SpectraBase Compound ID BBLGhwmbYjW
InChI InChI=1S/C31H48O5/c1-19(8-13-28(29(4,5)34)36-21(3)33)25-11-12-26-24-10-9-22-18-23(35-20(2)32)14-16-30(22,6)27(24)15-17-31(25,26)7/h9-10,19,23,25-28,34H,8,11-18H2,1-7H3/t19-,23+,25-,26+,27+,28-,30+,31-/m1/s1
InChIKey VDOKGXWGSWLRFK-NXVKIJKBSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xRREhQc7q4
Name Cholesta-5,7-diene-3,24,25-triol, 3,24-diacetate, (3.beta.,24R)-
Alternate Name(s) (3beta,24R)-24-(acetyloxy)-25-hydroxycholesta-5,7-dien-3-yl acetate 25-Hydroxy cholesta-5,7-diene-3,24-diacetate Acetic acid [(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-acetyloxy-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-acetyloxy-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,9S,10R,13R,14R,17R)-17-[(1R,4R)-4-acetoxy-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,9S,10R,13R,14R,17R)-17-[(2R,5R)-5-acetyloxy-6-methyl-6-oxidanyl-heptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
CAS Registry Number 55700-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-19(8-13-28(29(4,5)34)36-21(3)33)25-11-12-26-24-10-9-22-18-23(35-20(2)32)14-16-30(22,6)27(24)15-17-31(25,26)7/h9-10,19,23,25-28,34H,8,11-18H2,1-7H3/t19-,23+,25-,26+,27+,28-,30+,31-/m1/s1
InChIKey VDOKGXWGSWLRFK-NXVKIJKBSA-N
Molecular Weight 500.720 g/mol
SMILES OC([C@](OC(=O)C)(CC[C@]([C@@]1([C@@]2([C@](C=3[C@@]([C@]4(CC[C@](OC(=O)C)(CC4=CC3)[H])C)(CC2)[H])(CC1)[H])C)[H])(C)[H])[H])(C)C
SPLASH splash10-0f89-0039100000-dc7418ef45143bb6aee1
Source of Spectrum KC-1976-731-0
Wiley ID 1398938