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METHYL-3-ALPHA,24-DIHYDROXY-OLEAN-12-EN-28-OATE
SpectraBase Compound ID 9sEY5w4m4DN
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28+,29+,30+,31-/m0/s1
InChIKey PLMKQQMDOMTZGG-HTPRTFPWSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 596dlDc39yV
Name (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28+,29+,30+,31-/m0/s1
InChIKey PLMKQQMDOMTZGG-HTPRTFPWSA-N
Molecular Weight 486.737 g/mol
SMILES OC[C@]1([C@@](CC[C@@]2([C@]3(CC=C4[C@]([C@@]3(CC[C@@]12[H])C)(CC[C@]1(CCC(C[C@@]41[H])(C)C)C(=O)OC)C)[H])C)(O)[H])C
SPLASH splash10-0w29-0490000000-1e3bbd8ff0647f9d2165
Source of Spectrum X2-49-229-4
Synonyms (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Methyl (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Methyl (4aS,6aR,6aS,6bR,8aR,9S,10R,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Wiley ID 1601849