物質
J-GLOBAL ID：201307084826037247   日化辞番号：J3.126.723D

(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,19-ビス(ヒドロキシメチル)-9,14,24,29-テトラキス(ベンジルオキシメチル)-31,33,35,37,39,41-ヘキサヒドロキシ-32,34,36,38,40,42-ヘキサキス(ベンジルオキシ)-2,5:7,10:12,15:17,20:22,25:27,30-ヘキサエタノ-1,3,6,8,11,13,16,18,21,23,26,28-ドデカオキサシクロトリアコンタン

(2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,19-Bis(hydroxymethyl)-9,14,24,29-tetrakis(benzyloxymethyl)-31,33,35,37,39,41-hexahydroxy-32,34,36,38,40,42-hexakis(benzyloxy)-2,5:7,10:12,15:17,20:22,25:27,30-hexaethano-1,3,6,8,11,13,16,18,21,23,26,28-dodecaoxacyclotriacontane
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C106H120O30
分子式フリガナ： C106-H120-O30
分子量： 1874.096
InChI： InChI=1S/C106H120O30/c107-51-77-89-83(109)95(119-57-71-39-19-5-20-40-71)101(125-77)133-91-79(63-115-53-67-31-11-1-12-32-67)129-105(99(85(91)111)123-61-75-47-27-9-28-48-75)135-93-81(65-117-55-69-35-15-3-16-36-69)127-103(97(87(93)113)121-59-73-43-23-7-24-44-73)132-90-78(52-108)126-102(96(84(90)110)120-58-72-41-21-6-22-42-72)134-92-80(64-116-54-68-33-13-2-14-34-68)130-106(100(86(92)112)124-62-76-49-29-10-30-50-76)136-94-82(66-118-56-70-37-17-4-18-38-70)128-104(131-89)98(88(94)114)122-60-74-45-25-8-26-46-74/h1-50,77-114H,51-66H2/t77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m1/s1
InChI key： LSYZAFOOFOYWAN-DOGIPRHPSA-N
SMILES： OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCc4ccccc4)O[C@H](O[C@@H]4[C@@H](COCc5ccccc5)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCc7ccccc7)O[C@H](O[C@@H]7[C@@H](COCc8ccccc8)O[C@H](O[C@H]1[C@@H](O)[C@H]2OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]7O)[C@H](OCc1ccccc1)[C@@H]6O)[C@H](OCc1ccccc1)[C@@H]5O)[C@H](OCc1ccccc1)[C@@H]4O)[C@H](OCc1ccccc1)[C@@H]3O
体系名 (3件)：
  • (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,19-ビス(ヒドロキシメチル)-9,14,24,29-テトラキス(ベンジルオキシメチル)-31,33,35,37,39,41-ヘキサヒドロキシ-32,34,36,38,40,42-ヘキサキス(ベンジルオキシ)-2,5:7,10:12,15:17,20:22,25:27,30-ヘキサエタノ-1,3,6,8,11,13,16,18,21,23,26,28-ドデカオキサシクロトリアコンタン
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-32,34,36,38,40,42-ヘキサキス(ベンジルオキシ)-5,10,20,25-テトラキス[(ベンジルオキシ)メチル]-15,30-ビス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29-ドデカオキサヘプタシクロ[26.2.2.23,6.28,11.213,16.218,21.223,26]ドテトラコンタン-31,33,35,37,39,41-ヘキサオール
  • (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-32,34,36,38,40,42-hexakis(benzyloxy)-5,10,20,25-tetrakis[(benzyloxy)methyl]-15,30-bis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol
その他の名称 (1件)：
  • (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,19-Bis(hydroxymethyl)-9,14,24,29-tetrakis(benzyloxymethyl)-31,33,35,37,39,41-hexahydroxy-32,34,36,38,40,42-hexakis(benzyloxy)-2,5:7,10:12,15:17,20:22,25:27,30-hexaethano-1,3,6,8,11,13,16,18,21,23,26,28-dodecaoxacyclotriacontane
シソーラスmap：
シソーラスmap

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