Chem
J-GLOBAL ID：200907053809011441   Nikkaji number：J1.758.140F

Tricalysioside B

トリカリシオシドB
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： C26H38O9
Molecular formula furigana： C26-H38-O9
Molecular weight： 494.581
InChI： InChI=1S/C26H38O9/c1-24-6-5-16-14(8-19(29)33-16)15(24)4-7-25-9-13(2-3-18(24)25)26(11-25,12-28)35-23-22(32)21(31)20(30)17(10-27)34-23/h8,13,15-18,20-23,27-28,30-32H,2-7,9-12H2,1H3/t13-,15-,16-,17-,18+,20-,21+,22-,23+,24-,25+,26+/m1/s1
InChI key： GPPWDBNOAOQQHD-AWCVXQLBSA-N
SMILES： C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](CO)(C3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 3α,17-ジヒドロキシ-16α-(β-D-グルコピラノシルオキシ)-19-ノルカウラン-4(18)-エン-18-カルボン酸γ-ラクトン
  • (1S,4S,9R,12S,13R,16R,17R)-17-(ヒドロキシメチル)-12-メチル-17-{[(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}-8-オキサペンタシクロ[14.2.1.01,13.04,12.05,9]ノナデカ-5-エン-7-オン
  • (1S,4S,9R,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-17-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-7-one
Other name (3)：
  • 3α,17-Dihydroxy-16α-(β-D-glucopyranosyloxy)-19-norkaurane-4(18)-ene-18-carboxylic acid γ-lactone
  • トリカリシオシドB
  • Tricalysioside B
CAS registry number： 438632-44-1
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