Chem
J-GLOBAL ID：200907079037285035   Nikkaji number：J1.758.144I

Tricalysioside F

トリカリシオシドF
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(31)36-25-27-8-5-16-15-9-20(32)37-17(15)6-7-26(16,2)19(27)4-3-14(10-27)28(25,12-30)39-24-23(35)22(34)21(33)18(11-29)38-24/h9,14,16-19,21-25,29-30,33-35H,3-8,10-12H2,1-2H3/t14-,16-,17-,18-,19+,21-,22+,23-,24+,25-,26-,27-,28+/m1/s1
InChI key： BPBHKHLPQTYQOU-YQSHXZEHSA-N
SMILES： CC(=O)O[C@@H]1[C@]23C[C@@H](CC[C@H]2[C@]2(C)CC[C@H]4OC(=O)C=C4[C@H]2CC3)[C@]1(CO)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-15α-アセトキシ-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)-17-(ヒドロキシメチル)-12-メチル-7-オキソ-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-18-イル アセタート
  • (1R,4S,9R,12S,13S,16R,17R,18R)-17-(hydroxymethyl)-12-methyl-7-oxo-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-18-yl acetate
Other name (3)：
  • 3α,17-Dihydroxy-15α-acetoxy-16α-(β-D-glucopyranosyloxy)-19-norkaurane-4(18)-ene-18-carboxylic acid γ-lactone
  • トリカリシオシドF
  • Tricalysioside F
CAS registry number： 438632-48-5
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