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2-((3S,10R,13R,17R)-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-3,5-dihydroxy-tetrahydro-pyran-4-yl ester

View entire compound with spectra: 1 MS (GC)

2-((3S,10R,13R,17R)-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-3,5-dihydroxy-tetrahydro-pyran-4-yl ester
SpectraBase Compound ID 3sSYp0FMUxk
InChI InChI=1S/C28H42O6/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-28(18,4)22(20)11-13-27(17,21)3)34-26-24(31)25(33-16(2)29)23(30)15-32-26/h5-6,17,19-26,30-31H,1,7-15H2,2-4H3/t17-,19-,20?,21?,22?,23+,24-,25+,26-,27+,28-/m0/s1
InChIKey OBQXVTQWJVSZAL-UKCBTOOVSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H42O6
Exact Mass 474.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGlAHsb3mdH
Name 2-((3S,10R,13R,17R)-10,13-dimethyl-17-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy)-3,5-dihydroxy-tetrahydro-pyran-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O6
InChI InChI=1S/C28H42O6/c1-5-17-7-9-21-20-8-6-18-14-19(10-12-28(18,4)22(20)11-13-27(17,21)3)34-26-24(31)25(33-16(2)29)23(30)15-32-26/h5-6,17,19-26,30-31H,1,7-15H2,2-4H3/t17-,19-,20?,21?,22?,23+,24-,25+,26-,27+,28-/m0/s1
InChIKey OBQXVTQWJVSZAL-UKCBTOOVSA-N
Molecular Weight 474.638 g/mol
SMILES O[C@@]1(CO[C@]([C@]([C@@]1(OC(=O)C)[H])(O)[H])(O[C@@]1(CC=2[C@@](C3C(C4CC[C@@]([C@]4(CC3)C)(C=C)[H])CC2)(CC1)C)[H])[H])[H]
SPLASH splash10-001i-0090000000-05ce5ff14a22569dcc56
Source of Spectrum G4-69-1382-4
Synonyms 3'-O-Acetyl-3.beta.-pregna-5,20-dienyl-.beta.-D-arabinopyranoside
Wiley ID 1694458