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Stigmasta-5,22-dien-3-ol, acetate, (3.beta.)-
SpectraBase Compound ID 9mxK1B4Ojyx
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/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+
InChIKey IZEUIYYDWBKERE-MDZDMXLPSA-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 9lgKyAViC2F
Name Stigmasta-5,22-dien-3-ol, acetate, (3.beta.)-
CAS Registry Number 4651-48-3
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/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+
InChIKey IZEUIYYDWBKERE-MDZDMXLPSA-N
Molecular Weight 454.739 g/mol
SMILES CC12C3C(C4C(C)(C(C(\C=C\C(C(C)C)CC)C)CC4)CC3)CC=C1CC(OC(C)=O)CC2
SPLASH splash10-0a4l-0097000000-6d6475ee75f2739c9e8e
Source of Spectrum Va-0-0-0
Synonyms Stigmasta-5,22-dien-3-ol, acetate, (3.beta.,22Z)- 3.beta.-Acetoxystigmasta-5,22-diene Stigmasta-5,22-dien-3-yl acetate Stigmasta-5,22-dien-3.beta.-ol, acetate Stigmasterol acetate Stigmasteryl acetate Acetic acid [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate EINECS 225-082-7
Wiley ID 742793