Chem
J-GLOBAL ID：201407005448749241   Nikkaji number：J3.281.414J

Potentillanoside A

ポテンチラノシド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： C36H58O8
Molecular formula furigana： C36-H58-O8
Molecular weight： 618.852
InChI： InChI=1S/C36H58O8/c1-20-11-16-36(30(41)44-29-27(40)26(39)25(38)22(19-37)43-29)18-17-33(5)21(28(36)35(20,7)42)9-10-24-32(4)14-8-13-31(2,3)23(32)12-15-34(24,33)6/h9,20,22-29,37-40,42H,8,10-19H2,1-7H3/t20-,22-,23+,24-,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
InChI key： NXLSNXUPEOMKCC-VTHXIESCSA-N
SMILES： C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 19α-ヒドロキシウルサ-12-エン-28-酸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-(ヒドロキシメチル)オキサン-2-イル (1R,2R,4aS,6aS,6bR,8aS,12aS,12bR,14bS)-1-ヒドロキシ-1,2,6a,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)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aS,12aS,12bR,14bS)-1-hydroxy-1,2,6a,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 (3)：
  • 19α-Hydroxyurs-12-ene-28-oic acid β-D-glucopyranosyl ester
  • ポテンチラノシドA
  • Potentillanoside A
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