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Methyl 7alpha-Hydroxy-3alpha-[(methoxysuccinyl)oxy]-5beta-androstan-17beta-carboxylate

View entire compound with spectra: 2 MS (GC)

Methyl 7alpha-Hydroxy-3alpha-[(methoxysuccinyl)oxy]-5beta-androstan-17beta-carboxylate
SpectraBase Compound ID 7ftLR32muGo
InChI InChI=1S/C26H40O7/c1-25-11-9-16(33-22(29)8-7-21(28)31-3)13-15(25)14-20(27)23-17-5-6-19(24(30)32-4)26(17,2)12-10-18(23)25/h15-20,23,27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23-,25-,26-/m0/s1
InChIKey JLPOZLYFNFXARY-UMASKDELSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SXjNmJfSw4
Name Methyl 7.alpha.-hydroxy-3.alpha.-[(methoxysuccinyl)oxy]-5.beta.-androstan-17.beta.-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-25-11-9-16(33-22(29)8-7-21(28)31-3)13-15(25)14-20(27)23-17-5-6-19(24(30)32-4)26(17,2)12-10-18(23)25/h15-20,23,27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23-,25-,26-/m0/s1
InChIKey JLPOZLYFNFXARY-UMASKDELSA-N
Molecular Weight 464.599 g/mol
SMILES O[C@]1([C@]2([C@]3([C@@]([C@@](C(=O)OC)(CC3)[H])(CC[C@@]2([C@@]2([C@](C[C@](OC(=O)CCC(=O)OC)(CC2)[H])([H])C1)C)[H])C)[H])[H])[H]
SPLASH splash10-0udi-0029000000-ec43007c48475f705be1
Source of Spectrum H-69-1849-7
Synonyms 1-[(3alpha,5beta,7alpha,17beta)-7-hydroxy-17-(methoxycarbonyl)androstan-3-yl]4-methyl succinate 4-O-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]1-O-methyl butanedioate Butanedioic acid O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester O1-methyl ester O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-17-methoxycarbonyl-10,13-dimethyl-7-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]O1-methyl butanedioate O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]O1-methyl butanedioate Succinic acid O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-17-carbomethoxy-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester O1-methyl ester Butanedioic acid O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester O1-methyl ester 4-O-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-methyl butanedioate O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-7-hydroxy-17-methoxycarbonyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O1-methyl butanedioate O4-[(3R,5R,7R,8R,9S,10S,13S,14S,17S)-17-methoxycarbonyl-10,13-dimethyl-7-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] O1-methyl butanedioate
Wiley ID 1391518