Chem
J-GLOBAL ID:200907050890542287   Nikkaji number:J1.769.573H

3β-[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oleana-12-ene-28-oic acid 6-O-[4-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester

3β-[3-O-(β-D-グルコピラノシル)-α-L-アラビノピラノシル]オレアナ-12-エン-28-酸6-O-[4-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル
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: C59H96O25
Molecular formula furigana: C59-H96-O25
Molecular weight: 1205.392
InChI: InChI=1S/C59H96O25/c1-24-34(63)37(66)41(70)50(78-24)83-48-30(21-61)80-49(44(73)40(48)69)77-23-31-36(65)39(68)43(72)52(81-31)84-53(75)59-17-15-54(2,3)19-27(59)25-9-10-33-56(6)13-11-26(55(4,5)32(56)12-14-58(33,8)57(25,7)16-18-59)46-45(74)47(28(62)22-76-46)82-51-42(71)38(67)35(64)29(20-60)79-51/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,48+,49+,50-,51-,52-,56-,57+,58+,59-/m0/s1
InChI key: BEAMSGODGZHOJY-BTLVNABDSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H]([C@@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-[3-O-(β-D-グルコピラノシル)-α-L-アラビノピラノシル]オレアナ-12-エン-28-酸6-O-[4-O-(α-L-ラムノピラノシル)-β-D-グルコピラノシル]-β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル (4aS,6aS,6bR,8aS,10S,12aS,12bR,14bS)-10-[(2S,3S,4S,5S)-3,5-ジヒドロキシ-4-{[(2S,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}オキサン-2-イル]-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,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4aS,6aS,6bR,8aS,10S,12aS,12bR,14bS)-10-[(2S,3S,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-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-[3-O-(β-D-Glucopyranosyl)-α-L-arabinopyranosyl]oleana-12-ene-28-oic acid 6-O-[4-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]-β-D-glucopyranosyl ester
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