Chem
J-GLOBAL ID：200907025518420618   Nikkaji number：J1.879.497G

(2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-3,19-Dimethyl-18,21-bis(benzyloxy)-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane-1,3-diol

(2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-3,19-ジメチル-18,21-ビス(ベンジルオキシ)-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン-1,3-ジオール
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： C37H50O9
Molecular formula furigana： C37-H50-O9
Molecular weight： 638.798
InChI： InChI=1S/C37H50O9/c1-36(39)14-13-26-27(45-35(36)21-38)17-29-28(42-26)18-30-31(43-29)19-33-32(44-30)20-34(41-23-25-11-7-4-8-12-25)37(2,46-33)15-16-40-22-24-9-5-3-6-10-24/h3-12,26-35,38-39H,13-23H2,1-2H3/t26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+/m0/s1
InChI key： PRZZBYIHASDHCZ-NCUBRKSRSA-N
SMILES： C[C@]1(CCOCc2ccccc2)O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](CO)[C@](C)(O)CC[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2C[C@@H]1OCc1ccccc1
Systematic name  (3)：
  • (2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-3,19-ジメチル-18,21-ビス(ベンジルオキシ)-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン-1,3-ジオール
  • (1S,3R,5S,7R,8S,10R,12S,14R,16S,19R,20S,22R)-8-(ベンジルオキシ)-7-[2-(ベンジルオキシ)エチル]-20-(ヒドロキシメチル)-7,19-ジメチル-2,6,11,15,21-ペンタオキサペンタシクロ[12.9.0.03,12.05,10.016,22]トリコサン-19-オール
  • (1S,3R,5S,7R,8S,10R,12S,14R,16S,19R,20S,22R)-8-(benzyloxy)-7-[2-(benzyloxy)ethyl]-20-(hydroxymethyl)-7,19-dimethyl-2,6,11,15,21-pentaoxapentacyclo[12.9.0.03,12.05,10.016,22]tricosan-19-ol
Other name (1)：
  • (2S,3R,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-3,19-Dimethyl-18,21-bis(benzyloxy)-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane-1,3-diol
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