Chem
J-GLOBAL ID：200907097694290195   Nikkaji number：J868.202J

Hederacolchiside A

ヘデラコルキシドA
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： C47H76O17
Molecular formula furigana： C47-H76-O17
Molecular weight： 913.108
InChI： InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,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： SOLICHUQXFAOEP-YDIXZRNLSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O)[C@]2(C)CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (5)：
  • 3β-(2-O-α-L-ラムノピラノシル-4-O-β-D-グルコピラノシル-α-L-アラビノピラノシルオキシ)-23-ヒドロキシオレアナ-12-エン-28-酸
  • 3β-[(2-O-α-L-ラムノピラノシル-4-O-β-D-グルコピラノシル-α-L-アラビノピラノシル)オキシ]-23-ヒドロキシオレアナ-12-エン-28-酸
  • 23-ヒドロキシ-3β-[2-O-(α-L-ラムノピラノシル)-4-O-(β-D-グルコピラノシル)-α-L-アラビノピラノシルオキシ]オレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-ヒドロキシ-5-{[(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}-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]オキシ}-9-(ヒドロキシメチル)-2,2,6a,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-4a-カルボン酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,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-4a-carboxylic acid
Other name (7)：
  • プルサチラサポニンD
  • Pulsatilla saponin D
  • 3β-(2-O-α-L-Rhamnopyranosyl-4-O-β-D-glucopyranosyl-α-L-arabinopyranosyloxy)-23-hydroxyolean-12-en-28-oic acid
  • 3β-[(2-O-α-L-Rhamnopyranosyl-4-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-23-hydroxyoleana-12-ene-28-oic acid
  • 23-Hydroxy-3β-[2-O-(α-L-rhamnopyranosyl)-4-O-(β-D-glucopyranosyl)-α-L-arabinopyranosyloxy]oleana-12-ene-28-oic acid
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CAS registry number： 68027-15-6
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