Chem
J-GLOBAL ID：201207003989451515   Nikkaji number：J3.008.048C

(22S,23S)-2-(β-D-Glucopyranosyloxy)-22,23-dihydroxy-16α,23:22,25-diepoxycucurbita-1,5-diene-3,11-dione

(22S,23S)-2-(β-D-グルコピラノシルオキシ)-22,23-ジヒドロキシ-16α,23:22,25-ジエポキシククルビタ-1,5-ジエン-3,11-ジオン
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： C36H52O12
Molecular formula furigana： C36-H52-O12
Molecular weight： 676.800
InChI： InChI=1S/C36H52O12/c1-16-24-20(47-35(43)15-30(2,3)48-36(16,35)44)12-32(6)22-10-9-17-18(34(22,8)23(38)13-33(24,32)7)11-19(28(42)31(17,4)5)45-29-27(41)26(40)25(39)21(14-37)46-29/h9,11,16,18,20-22,24-27,29,37,39-41,43-44H,10,12-15H2,1-8H3/t16-,18+,20+,21+,22-,24-,25+,26-,27+,29+,32-,33+,34-,35-,36-/m0/s1
InChI key： ACPPAFATSKFQFS-YTBYLDSSSA-N
SMILES： C[C@H]1[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@]2(O)CC(C)(C)O[C@@]12O
Systematic name  (3)：
  • (22S,23S)-2-(β-D-グルコピラノシルオキシ)-22,23-ジヒドロキシ-16α,23:22,25-ジエポキシククルビタ-1,5-ジエン-3,11-ジオン
  • (1S,2S,10R,11R,14R,15R,16S,17S,21S,23R)-17,21-ジヒドロキシ-1,6,6,11,14,16,19,19-オクタメチル-8-{[(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}-18,22-ジオキサヘキサシクロ[12.10.0.02,11.05,10.015,23.017,21]テトラコサ-4,8-ジエン-7,12-ジオン
  • (1S,2S,10R,11R,14R,15R,16S,17S,21S,23R)-17,21-dihydroxy-1,6,6,11,14,16,19,19-octamethyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18,22-dioxahexacyclo[12.10.0.02,11.05,10.015,23.017,21]tetracosa-4,8-diene-7,12-dione
Other name (1)：
  • (22S,23S)-2-(β-D-Glucopyranosyloxy)-22,23-dihydroxy-16α,23:22,25-diepoxycucurbita-1,5-diene-3,11-dione
Thsaurus map：
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