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(3-alpha,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-one
SpectraBase Compound ID LMZ6Mwwmqls
InChI InChI=1S/C30H48O3/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-25,31H,8-17H2,1-7H3/t18-,19+,20-,23+,24+,25-,28-,29-,30+/m1/s1
InChIKey RAVLYMWHELNCTR-APSBUADISA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLnlZ5e5cF5
Name (3-alpha,22S,25R)-3-Hydroxy-22,26-epoxylanost-8-en-26-one
Alternate Name(s) Artabotryol A (3R,6S)-6-((S)-1-((3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-methyltetrahydro-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-25,31H,8-17H2,1-7H3/t18-,19+,20-,23+,24+,25-,28-,29-,30+/m1/s1
InChIKey RAVLYMWHELNCTR-APSBUADISA-N
Molecular Weight 456.711 g/mol
SMILES O[C@]1(C([C@@]2(CCC=3[C@]4(C)CC[C@]([C@@]([C@]5(OC([C@@](CC5)(C)[H])=O)[H])(C)[H])([C@]4(CCC3[C@]2(CC1)C)C)[H])[H])(C)C)[H]
SPLASH splash10-052f-3030900000-5d7fb6ad9762e129d3b3
Source of Spectrum H-93-1931-1
Wiley ID 1783888