Chem
J-GLOBAL ID：200907059209676731   Nikkaji number：J607.633E

3β,19α,23,24-Tetrahydroxyolean-12-en-28-oic acid methyl ester

3β,19α,23,24-テトラヒドロキシオレアナ-12-エン-28-酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H50O6
Molecular formula furigana： C31-H50-O6
Molecular weight： 518.735
InChI： InChI=1S/C31H50O6/c1-26(2)13-15-30(25(36)37-6)16-14-28(4)19(23(30)24(26)35)7-8-20-27(3)11-10-22(34)31(17-32,18-33)21(27)9-12-29(20,28)5/h7,20-24,32-35H,8-18H2,1-6H3/t20-,21-,22+,23-,24+,27-,28-,29-,30+/m1/s1
InChI key： ILNUAJNZFQMDHR-XTZPFBIPSA-N
SMILES： COC(=O)[C@]12CCC(C)(C)[C@@H](O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3)：
  • 3β,19α,23,24-テトラヒドロキシオレアナ-12-エン-28-酸メチル
  • メチル (1S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-2,2,6a,6b,12a-ペンタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
  • methyl (1S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 3β,19α,23,24-Tetrahydroxyolean-12-en-28-oic acid methyl ester
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