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

View entire compound with spectra: 2 MS (GC)

(4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetoxy-5,17-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
SpectraBase Compound ID LYTDMHNXuTo
InChI InChI=1S/C27H44O6/c1-17(6-7-23(29)32-5)27(31)15-11-22-20-9-14-26(30)16-19(33-18(2)28)8-12-24(26,3)21(20)10-13-25(22,27)4/h17,19-22,30-31H,6-16H2,1-5H3/t17-,19-,20-,21+,22+,24-,25+,26+,27+/m1/s1
InChIKey ICTHFOFVLXYHCH-ZQUJSZMOSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H44O6
Exact Mass 464.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YjxWXylVYO
Name (4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetoxy-5,17-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O6
InChI InChI=1S/C27H44O6/c1-17(6-7-23(29)32-5)27(31)15-11-22-20-9-14-26(30)16-19(33-18(2)28)8-12-24(26,3)21(20)10-13-25(22,27)4/h17,19-22,30-31H,6-16H2,1-5H3/t17-,19-,20-,21+,22+,24-,25+,26+,27+/m1/s1
InChIKey ICTHFOFVLXYHCH-ZQUJSZMOSA-N
Molecular Weight 464.643 g/mol
SMILES O[C@@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@](C[C@]4(CC3)O)(OC(=O)C)[H])C)(CC[C@]12C)[H])[H])[H])[C@@](CCC(=O)OC)(C)[H]
SPLASH splash10-0kmi-0491000000-de65f09b34e7e29cd373
Source of Spectrum K-2001-2233-10
Synonyms (4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-5,17-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester Methyl (4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetoxy-5,17-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-5,17-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Methyl (4R)-4-[(3R,5S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-5,17-dihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID 1579705