1α,3β-Dihydroxy-23-(4-O-acetyl-α-L-rhamnopyranosyloxy)oleana-12-ene-29-oic acid α-L-rhamnopyranosyl ester

1α,3β-ジヒドロキシ-23-(4-O-アセチル-α-L-ラムノピラノシルオキシ)オレアナ-12-エン-29-酸α-L-ラムノピラノシル

Decided structure
Molecular formula： C₄₄H₇₀O₁₄
Molecular formula furigana： C44-H70-O14
Molecular weight： 823.030

InChI： InChI=1S/C44H70O14/c1-21-30(48)31(49)33(51)37(55-21)58-38(53)40(5)15-14-39(4)16-17-42(7)24(25(39)19-40)10-11-27-43(42,8)13-12-26-41(6,28(46)18-29(47)44(26,27)9)20-54-36-34(52)32(50)35(22(2)56-36)57-23(3)45/h10,21-22,25-37,46-52H,11-20H2,1-9H3/t21-,22-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,39+,40+,41-,42+,43+,44-/m0/s1

InChI key： QSSXEKOFQNYXOA-SNYHOJCGSA-N

SMILES： C[C@@H]1O[C@@H](OC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C(=CC[C@H]5[C@@]4(C)CC[C@H]4[C@](C)(CO[C@@H]6O[C@@H](C)[C@H](OC(=O)C)[C@@H](O)[C@H]6O)[C@@H](O)C[C@H](O)[C@]54C)[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O

Systematic name (3)：

1α,3β-ジヒドロキシ-23-(4-O-アセチル-α-L-ラムノピラノシルオキシ)オレアナ-12-エン-29-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 (2R,4aS,6aS,6bR,8aR,9R,10S,12S,12aR,12bS,14bR)-9-({[(2R,3R,4S,5R,6S)-5-(アセチルオキシ)-3,4-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}メチル)-10,12-ジヒドロキシ-2,4a,6a,6b,9,12a-ヘキサメチル-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-2-カルボキシラート
(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl (2R,4aS,6aS,6bR,8aR,9R,10S,12S,12aR,12bS,14bR)-9-({[(2R,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-10,12-dihydroxy-2,4a,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

Other name (1)：

1α,3β-Dihydroxy-23-(4-O-acetyl-α-L-rhamnopyranosyloxy)oleana-12-ene-29-oic acid α-L-rhamnopyranosyl ester

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