Chem
J-GLOBAL ID：201807001211928383   Nikkaji number：J3.676.837A

3β-Hydroxyoleana-12-ene-28-oic acid α-L-rhamnopyranosyl ester

3β-ヒドロキシオレアナ-12-エン-28-酸α-L-ラムノピラノシル
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： C36H58O7
Molecular formula furigana： C36-H58-O7
Molecular weight： 602.853
InChI： InChI=1S/C36H58O7/c1-20-26(38)27(39)28(40)29(42-20)43-30(41)36-17-15-31(2,3)19-22(36)21-9-10-24-33(6)13-12-25(37)32(4,5)23(33)11-14-35(24,8)34(21,7)16-18-36/h9,20,22-29,37-40H,10-19H2,1-8H3/t20-,22-,23-,24+,25-,26-,27+,28+,29-,33-,34+,35+,36-/m0/s1
InChI key： RFUPVCJTSKBVOX-SRUNSHPASA-N
SMILES： C[C@@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-ヒドロキシオレアナ-12-エン-28-酸α-L-ラムノピラノシル
  • (2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-2,2,6a,6b,9,9,12a-ヘプタメチル-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
  • (2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-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-Hydroxyoleana-12-ene-28-oic acid α-L-rhamnopyranosyl ester
Thsaurus map：
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