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A'-Neogammacer-22(29)-en-3-one
SpectraBase Compound ID FdDjvFPJeo
InChI InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3
InChIKey VEVKLOLYYQLRRV-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C30H48O
Exact Mass 424.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBRGrvBUCzD
Name A'-Neogammacer-22(29)-en-3-one
CAS Registry Number 25615-11-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O
InChI InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3
InChIKey VEVKLOLYYQLRRV-UHFFFAOYSA-N
Molecular Weight 424.713 g/mol
SMILES C12(C)C(C3(C)C(CC2)C(C)(C)C(CC3)=O)CCC2C1(C)CCC1C2(C)CCC1C(C)=C
SPLASH splash10-052r-7910100000-385f5cd61bc1a8b7c1d3
Source of Spectrum Va-0-0-0
Synonyms 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-9H-cyclopenta[a]chrysen-9-one 3-isopropenyl-5a,5b,8,8,11a,13b-hexamethyl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 5a,5b,8,8,11a,13b-hexamethyl-3-(1-methylethenyl)-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Hop-22(29)-en-3-one Hopenone b
Wiley ID 742652