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Dimethyl 3,24-dihydroxyolean-12-en-28,29-dioate
SpectraBase Compound ID 9XbVVrl2Xq7
InChI InChI=1S/C32H50O6/c1-27(25(35)37-6)14-16-32(26(36)38-7)17-15-30(4)20(21(32)18-27)8-9-23-28(2)12-11-24(34)29(3,19-33)22(28)10-13-31(23,30)5/h8,21-24,33-34H,9-19H2,1-7H3/t21-,22?,23-,24?,27-,28?,29-,30-,31?,32?/m1/s1
InChIKey APEKDJQWKQLDPJ-CDZBOISSSA-N
Mol Weight 530.7 g/mol
Molecular Formula C32H50O6
Exact Mass 530.360739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4h3jEW9fhHp
Name Dimethyl 3,24-dihydroxyolean-12-en-28,29-dioate
Alternate Name(s) Dimethyl (4alpha,18alpha,20alpha)-3,23-dihydroxyolean-12-ene-28,29-dioate Dimethyl 3.beta.,24-dihydroxyolean-12-en-28,29-dioate
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Formula C32H50O6
InChI InChI=1S/C32H50O6/c1-27(25(35)37-6)14-16-32(26(36)38-7)17-15-30(4)20(21(32)18-27)8-9-23-28(2)12-11-24(34)29(3,19-33)22(28)10-13-31(23,30)5/h8,21-24,33-34H,9-19H2,1-7H3/t21-,22?,23-,24?,27-,28?,29-,30-,31?,32?/m1/s1
InChIKey APEKDJQWKQLDPJ-CDZBOISSSA-N
Molecular Weight 530.746 g/mol
SMILES OC[C@]1(C(CCC2([C@]3(CC=C4[C@](C3(CCC12)C)(CCC1(CC[C@](C[C@]41[H])(C(=O)OC)C)C(=O)OC)C)[H])C)O)C
SPLASH splash10-052r-2942000000-6bdc6a6af7ec59114d62
Source of Spectrum X2-47-982-3
Wiley ID 1601612