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D:A-Friedooleanan-29-oic acid, 3-oxo-, (20.alpha.)-
SpectraBase Compound ID FLiSeTAaFfE
InChI InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)
InChIKey WHWHDGKOSUKYOV-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4163dcaC199
Name D:A-Friedooleanan-29-oic acid, 3-oxo-, (20.alpha.)-
CAS Registry Number 33600-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)
InChIKey WHWHDGKOSUKYOV-UHFFFAOYSA-N
Molecular Weight 456.711 g/mol
SMILES OC(C1(CC2C3(CCC4(C5CCC(C(C)C5(CCC4C3(CCC2(CC1)C)C)C)=O)C)C)C)=O
SPLASH splash10-0c0r-0691200000-2906e6e7aeec1607e32e
Source of Spectrum EP-6397-0-0
Synonyms 2,4a,6a,8a,9,12b,14a-Heptamethyl-10-oxodocosahydro-2-picenecarboxylic acid 10-keto-2,4a,6a,6a,8a,9,14a-heptamethyl-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid 2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxidanylidene-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid 2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid D:A-Friedooleanan-29-oic acid, 3-oxo- D:a-friedooleanan-29-oic acid, 3-oxo-, (20alpha)- Maytenonic acid Polpunonic acid
Wiley ID 1389464