Chem
J-GLOBAL ID：200907038380239482   Nikkaji number：J1.758.145G

Tricalysioside G

トリカリシオシドG
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： C28H40O11
Molecular formula furigana： C28-H40-O11
Molecular weight： 552.617
InChI： InChI=1S/C28H40O11/c1-13(30)37-25-27-8-5-16-15-9-20(31)38-17(15)6-7-26(16,2)19(27)4-3-14(10-27)28(25,35)12-36-24-23(34)22(33)21(32)18(11-29)39-24/h9,14,16-19,21-25,29,32-35H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,21-,22+,23-,24-,25-,26-,27-,28+/m1/s1
InChI key： NCRXSARBPOHZRZ-HEEZPQMBSA-N
SMILES： CC(=O)O[C@H]1[C@](O)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@]31CC[C@@H]1C4=CC(=O)O[C@@H]4CC[C@@]1(C)[C@@H]3CC2
Systematic name  (3)：
  • 3α,16α-ジヒドロキシ-15α-アセトキシ-17-(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)-17-ヒドロキシ-12-メチル-7-オキソ-17-({[(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)-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-18-イル アセタート
  • (1R,4S,9R,12S,13S,16R,17R,18R)-17-hydroxy-12-methyl-7-oxo-17-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadec-5-en-18-yl acetate
Other name (3)：
  • 3α,16α-Dihydroxy-15α-acetoxy-17-(β-D-glucopyranosyloxy)-19-norkaurane-4(18)-ene-18-carboxylic acid γ-lactone
  • トリカリシオシドG
  • Tricalysioside G
CAS registry number： 438632-49-6
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