Mimusopside A

ミムソプシドA

Decided structure
Molecular formula： C₄₇H₇₆O₁₉
Molecular formula furigana： C47-H76-O19
Molecular weight： 945.106

InChI： InChI=1S/C47H76O19/c1-20-28(53)31(56)33(58)38(62-20)64-35-29(54)25(52)18-61-40(35)66-41(60)47-12-10-42(2,3)14-22(47)21-8-9-27-43(4)15-24(51)37(65-39-34(59)32(57)30(55)26(17-48)63-39)44(5,19-49)36(43)23(50)16-46(27,7)45(21,6)11-13-47/h8,20,22-40,48-59H,9-19H2,1-7H3/t20-,22-,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37-,38-,39-,40-,43+,44-,45+,46+,47-/m0/s1

InChI key： JUXWBGYLESHCHB-SAQWWSJUSA-N

SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O

Systematic name (3)：

2β,6β,23-トリヒドロキシ-3β-(β-D-グルコピラノシルオキシ)オレアナ-12-エン-28-酸2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル
(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(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]オキシ}オキサン-2-イル (4aS,6aS,6bR,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-ジヒドロキシ-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-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,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (4aS,6aS,6bR,8R,8aR,9R,10R,11S,12aR,12bR,14bS)-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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 (3)：

ミムソプシドA
Mimusopside A
2β,6β,23-Trihydroxy-3β-(β-D-glucopyranosyloxy)olean-12-en-28-oic acid 2-O-α-L-rhamnopyranosyl-α-L-arabinopyranosyl ester

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