Chem
J-GLOBAL ID:200907025716650203   Nikkaji number:J2.653.686C

(2R,3S,5R,6S,8R,9S,11R,12S,14R,15S,18R,19S,21R,22S,24R,25S)-8,18-Dimethyl-24,27-bis(benzyloxy)-2,6:5,9:8,12:11,15:14,19:18,22:21,25-heptaepoxyheptacosane-1,3-diol

(2R,3S,5R,6S,8R,9S,11R,12S,14R,15S,18R,19S,21R,22S,24R,25S)-8,18-ジメチル-24,27-ビス(ベンジルオキシ)-2,6:5,9:8,12:11,15:14,19:18,22:21,25-ヘプタエポキシヘプタコサン-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: C43H58O11
Molecular formula furigana: C43-H58-O11
Molecular weight: 750.926
InChI: InChI=1S/C43H58O11/c1-42-15-13-29-33(19-37-35(48-29)21-41-43(2,54-37)22-38-32(51-41)17-28(45)39(23-44)50-38)52-40(42)20-34-36(53-42)18-31(47-25-27-11-7-4-8-12-27)30(49-34)14-16-46-24-26-9-5-3-6-10-26/h3-12,28-41,44-45H,13-25H2,1-2H3/t28-,29-,30-,31+,32+,33+,34+,35+,36-,37-,38-,39+,40-,41-,42+,43+/m0/s1
InChI key: MZBAMZUWJAQNCX-XKKXSPBRSA-N
SMILES: C[C@@]12C[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@H]3CC[C@@]4(C)O[C@H]5C[C@@H](OCc6ccccc6)[C@H](CCOCc6ccccc6)O[C@@H]5C[C@@H]4O[C@@H]3C[C@@H]1O2
Systematic name  (3):
  • (2R,3S,5R,6S,8R,9S,11R,12S,14R,15S,18R,19S,21R,22S,24R,25S)-8,18-ジメチル-24,27-ビス(ベンジルオキシ)-2,6:5,9:8,12:11,15:14,19:18,22:21,25-ヘプタエポキシヘプタコサン-1,3-ジオール
  • (1S,3R,5S,7R,9S,10R,12S,14R,16S,18R,20S,22R,24S,25R,27S,29R)-25-(ベンジルオキシ)-24-[2-(ベンジルオキシ)エチル]-10-(ヒドロキシメチル)-14,29-ジメチル-2,6,11,15,19,23,28-ヘプタオキサヘプタシクロ[16.13.0.03,16.05,14.07,12.020,29.022,27]ヘントリアコンタン-9-オール
  • (1S,3R,5S,7R,9S,10R,12S,14R,16S,18R,20S,22R,24S,25R,27S,29R)-25-(benzyloxy)-24-[2-(benzyloxy)ethyl]-10-(hydroxymethyl)-14,29-dimethyl-2,6,11,15,19,23,28-heptaoxaheptacyclo[16.13.0.03,16.05,14.07,12.020,29.022,27]hentriacontan-9-ol
Other name (1):
  • (2R,3S,5R,6S,8R,9S,11R,12S,14R,15S,18R,19S,21R,22S,24R,25S)-8,18-Dimethyl-24,27-bis(benzyloxy)-2,6:5,9:8,12:11,15:14,19:18,22:21,25-heptaepoxyheptacosane-1,3-diol
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