Chem
J-GLOBAL ID：200907084602798100   Nikkaji number：J1.953.433B

3β-(4-O-α-L-Rhamnopyranosyl-6-deoxy-β-D-glucopyranosyloxy)-27-noroleana-13-ene-28-oic acid 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester

3β-(4-O-α-L-ラムノピラノシル-6-デオキシ-β-D-グルコピラノシルオキシ)-27-ノルオレアナ-13-エン-28-酸6-O-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： C53H86O21
Molecular formula furigana： C53-H86-O21
Molecular weight： 1059.250
InChI： InChI=1S/C53H86O21/c1-22-32(55)35(58)40(63)46(68-22)73-43-23(2)69-45(42(65)38(43)61)72-31-13-15-52(8)29(50(31,5)6)12-14-51(7)25-11-16-53(18-17-49(3,4)19-26(53)24(25)9-10-30(51)52)48(66)74-47-41(64)37(60)34(57)28(71-47)21-67-44-39(62)36(59)33(56)27(20-54)70-44/h22-23,26-47,54-65H,9-21H2,1-8H3/t22-,23+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,51-,52-,53+/m0/s1
InChI key： YRXDRLPWHBEITI-XZVKLLJMSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CCC4=C5CC[C@]5(CCC(C)(C)C[C@@H]45)C(=O)O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C3(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3β-(4-O-α-L-ラムノピラノシル-6-デオキシ-β-D-グルコピラノシルオキシ)-27-ノルオレアナ-13-エン-28-酸6-O-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)-3,4,5-トリヒドロキシ-6-({[(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}メチル)オキサン-2-イル (4aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-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}-2,2,6b,9,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-イコサヒドロピセン-4a-カルボキシラート
  • (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 3β-(4-O-α-L-Rhamnopyranosyl-6-deoxy-β-D-glucopyranosyloxy)-27-noroleana-13-ene-28-oic acid 6-O-β-D-glucopyranosyl-β-D-glucopyranosyl ester
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