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(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
SpectraBase Compound ID 9LuABS5YIWm
InChI InChI=1S/C28H42O8/c1-17(5-8-25(32)33-4)20-6-7-21-26-22(13-24(36-16-31)28(20,21)3)27(2)10-9-19(34-14-29)11-18(27)12-23(26)35-15-30/h14-24,26H,5-13H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,26+,27+,28-/m1/s1
InChIKey KVLWXGDKSBUQJF-SREHDYERSA-N
Mol Weight 506.6 g/mol
Molecular Formula C28H42O8
Exact Mass 506.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41wwRbjgQ4
Name (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
CAS Registry Number 33744-75-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O8
InChI InChI=1S/C28H42O8/c1-17(5-8-25(32)33-4)20-6-7-21-26-22(13-24(36-16-31)28(20,21)3)27(2)10-9-19(34-14-29)11-18(27)12-23(26)35-15-30/h14-24,26H,5-13H2,1-4H3/t17-,18+,19-,20-,21+,22+,23-,24+,26+,27+,28-/m1/s1
InChIKey KVLWXGDKSBUQJF-SREHDYERSA-N
Molecular Weight 506.636 g/mol
SMILES [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(C[C@@]2(OC=O)[H])[H])(CC[C@@](OC=O)(C4)[H])C)[H])(OC=O)[H])[H])(CC[C@@]1([C@@](CCC(=O)OC)(C)[H])[H])[H])C
SPLASH splash10-0ika-0194300000-edc2ce3bdf3353990bf0
Source of Spectrum J-45-339-0
Synonyms (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trimethanoyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID 1399860