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Lupenone
SpectraBase Compound ID LUZF2Q4VhCX
InChI InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3
InChIKey GRBHNQFQFHLCHO-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 3XQk7sL2m0
Name Lup-20(29)-en-3-one
CAS Registry Number 1617-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O
InChI InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3
InChIKey GRBHNQFQFHLCHO-UHFFFAOYSA-N
Molecular Weight 424.713 g/mol
SMILES C12(C3(C(C4(CCC(C(C4CC3)(C)C)=O)C)CCC2C2C(C(=C)C)CCC2(CC1)C)C)C
SPLASH splash10-0ab9-0920000000-0785575e337f4e67bdf7
Source of Spectrum Va-0-0-0
Synonyms (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one 1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Lup-20(30)-en-3-one Lupen-3-one Lupenone NSC 281807
Wiley ID 742650