Chem
J-GLOBAL ID:200907013931550270   Nikkaji number:J440.562E

Kaji-ichigoside F1

カジ-イチゴシドF1
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: C36H58O10
Molecular formula furigana: C36-H58-O10
Molecular weight: 650.850
InChI: InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1
InChI key: MLKQAGPAYHTNQQ-FUZXVMJXSA-N
SMILES: C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(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  (6):
  • 2α,3α,19-トリヒドロキシウルサ-12-エン-28-酸β-D-グルコピラノシル
  • 2α,3α,19α-トリヒドロキシウルサ-12-エン-28-酸(β-D-グルコピラノシル)
  • 2α,3α,19α-トリヒドロキシウルサ-12-エン-28-酸β-D-グルコピラノシル
  • 2α,3α,19α-トリヒドロキシウルサン-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,8aR,10S,11R,12aR,12bR,14bS)-1,10,11-トリヒドロキシ-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
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Other name (8):
  • 2α,3α,19α-Trihydroxyurs-12-en-28-oic acid (β-D-glucopyranosyl) ester
  • 2α,3α,19-Trihydroxyurs-12-en-28-oic acid β-D-glucopyranosyl ester
  • カジ-イチゴシドF1
  • Kaji-ichigoside F1
  • 2α,3α,19α-Trihydroxyurs-12-ene-28-oic acid β-D-glucopyranosyl ester
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