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[29-13C]-Lupenone

View entire compound with spectra: 2 MS (GC)

[29-13C]-Lupenone
SpectraBase Compound ID H8xiuYhugyk
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/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1/i1+1
InChIKey GRBHNQFQFHLCHO-USTVPRLASA-N
Mol Weight 425.7 g/mol
Molecular Formula C2913CH48O
Exact Mass 425.373871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUDCJMbjKt2
Name [29-13C]-Lupenone
Comments Original formula: C29[13C]H48O
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/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1/i1+1
InChIKey GRBHNQFQFHLCHO-USTVPRLASA-N
Literature Reference DOI 10.1002_(SICI)1099-1565(199605)7_3_136
Molecular Weight 425.705 g/mol
SMILES [13CH2]=C([C@]1([C@]2([C@@](CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@@]3([C@@]2(CCC(C3(C)C)=O)C)[H])C)[H])[H])C)(CC1)C)[H])[H])C
SPLASH splash10-066r-5292300000-1123d506da19986eb808
Source of Spectrum PA-7-239-9(GC_MS)
Synonyms (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl-1-¹³C)icosahydro-9H-cyclopenta[a]chrysen-9-one
Wiley ID 1800200