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24-Epipatinosterol acetate
SpectraBase Compound ID 95VVsVVYyt5
InChI InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-20,22-27H,7,10-18H2,1-6H3/b9-8+/t19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey UYLNVBMDYCAKQN-YCJLPCSASA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2INbwDCUtau
Name 24-Epipatinosterol acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-7-19(2)8-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-20,22-27H,7,10-18H2,1-6H3/b9-8+/t19-,20-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey UYLNVBMDYCAKQN-YCJLPCSASA-N
Molecular Weight 428.701 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](\C=C\[C@@](CC)(C)[H])(C)[H])[H])[H])C
SPLASH splash10-0aor-8944100000-bb76c1d1a204f632ccf5
Source of Spectrum SD-1992-0-0
Synonyms (1S,2S,5S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R,3E,5R)-5-methylhept-3-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(E,1R,4R)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Wiley ID 1380952