Chem
J-GLOBAL ID：200907060408023834   Nikkaji number：J1.758.139B

Tricalysioside A

トリカリシオシド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： C26H38O10
Molecular formula furigana： C26-H38-O10
Molecular weight： 510.580
InChI： InChI=1S/C26H38O10/c1-24-6-5-15-13(8-18(29)34-15)14(24)4-7-25-9-12(2-3-17(24)25)26(11-28,23(25)33)36-22-21(32)20(31)19(30)16(10-27)35-22/h8,12,14-17,19-23,27-28,30-33H,2-7,9-11H2,1H3/t12-,14-,15-,16-,17+,19-,20+,21-,22+,23-,24-,25-,26+/m1/s1
InChI key： JBJQQLIERNHTTN-QMHPSUQYSA-N
SMILES： C[C@@]12CC[C@H]3OC(=O)C=C3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@](CO)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]3O
Systematic name  (3)：
  • 3α,15α,17-トリヒドロキシ-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
  • (1R,4S,9R,12S,13S,16R,17R,18R)-18-ヒドロキシ-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
  • (1R,4S,9R,12S,13S,16R,17R,18R)-18-hydroxy-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,15α,17-Trihydroxy-16α-(β-D-glucopyranosyloxy)-19-norkaurane-4(18)-ene-18-carboxylic acid γ-lactone
  • トリカリシオシドA
  • Tricalysioside A
CAS registry number： 438632-42-9
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