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(22E)-Stigmasta-4,22-diene
SpectraBase Compound ID 7Aa2T2Hp6Cs
InChI InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h10-12,20-22,24-27H,7-9,13-19H2,1-6H3/b12-11+
InChIKey JOIVJWFMPCQAAN-VAWYXSNFSA-N
Mol Weight 396.7 g/mol
Molecular Formula C29H48
Exact Mass 396.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYV1w2DV7ln
Name (22E)-Stigmasta-4,22-diene
CAS Registry Number 76866-92-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48
InChI InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h10-12,20-22,24-27H,7-9,13-19H2,1-6H3/b12-11+
InChIKey JOIVJWFMPCQAAN-VAWYXSNFSA-N
Molecular Weight 396.703 g/mol
SMILES CCC(\C=C\C(C)C1CCC2C3CCC4=CCCCC4(C)C3CCC12C)C(C)C
SPLASH splash10-0a5a-9842000000-727b2dfe9fc2e9765e77
Source of Spectrum W5-1989-38388-27148
Synonyms 17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Stigmasta-4,22-diene
Wiley ID 1367816