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3beta-Acetoxy-5alpha-stigmasta-7,24-diene
SpectraBase Compound ID DfcMUGBac5a
InChI InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,21,24-25,27-29H,8-11,13-19H2,1-7H3/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey JFVZFDYSNAYWDL-ANLBXGQJSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RBALzBc1Hb
Name 3beta-Acetoxy-5alpha-stigmasta-7,24-diene
Alternate Name(s) (3S,5S,9R,10S,13R,14R,17R)-17-((R)-5-ethyl-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,21,24-25,27-29H,8-11,13-19H2,1-7H3/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey JFVZFDYSNAYWDL-ANLBXGQJSA-N
Molecular Weight 454.739 g/mol
SMILES [C@@]12([C@@]([C@]3(CC[C@]4([C@@](CC[C@@]4([C@@](CCC(CC)=C(C)C)(C)[H])[H])(C3=CC1)[H])C)[H])(CC[C@@](C2)(OC(=O)C)[H])C)[H]
SPLASH splash10-08fr-0009200000-803337a204d38355f9c4
Source of Spectrum K-108-758-2b
Wiley ID 1793877