物質
J-GLOBAL ID：201307016814018500   日化辞番号：J3.126.720J

(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)-4,9,14,19,24,29-ヘキサキス(ベンジルオキシメチル)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカ(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)-4,9,14,19,24,29-Hexakis(benzyloxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodeca(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： C162H168O30
分子式フリガナ： C162-H168-O30
分子量： 2595.096
InChI： InChI=1S/C162H168O30/c1-19-55-115(56-20-1)91-163-109-133-139-145(169-97-121-67-31-7-32-68-121)151(175-103-127-79-43-13-44-80-127)157(181-133)188-140-134(110-164-92-116-57-21-2-22-58-116)183-159(153(177-105-129-83-47-15-48-84-129)146(140)170-98-122-69-33-8-34-70-122)190-142-136(112-166-94-118-61-25-4-26-62-118)185-161(155(179-107-131-87-51-17-52-88-131)148(142)172-100-124-73-37-10-38-74-124)192-144-138(114-168-96-120-65-29-6-30-66-120)186-162(156(180-108-132-89-53-18-54-90-132)150(144)174-102-126-77-41-12-42-78-126)191-143-137(113-167-95-119-63-27-5-28-64-119)184-160(154(178-106-130-85-49-16-50-86-130)149(143)173-101-125-75-39-11-40-76-125)189-141-135(111-165-93-117-59-23-3-24-60-117)182-158(187-139)152(176-104-128-81-45-14-46-82-128)147(141)171-99-123-71-35-9-36-72-123/h1-90,133-162H,91-114H2/t133-,134-,135-,136-,137-,138-,139+,140+,141+,142+,143+,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-/m1/s1
InChI key： WYVWTZCPTCOEGW-MCYDSCCHSA-N
SMILES： C(OCc1ccccc1)[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](COCc6ccccc6)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](OCc1ccccc1)[C@H]2OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]7OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]6OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]5OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]4OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H]3OCc1ccccc1
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)-4,9,14,19,24,29-ヘキサキス(ベンジルオキシメチル)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカ(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)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカキス(ベンジルオキシ)-5,10,15,20,25,30-ヘキサキス[(ベンジルオキシ)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
  • (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)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(benzyloxy)-5,10,15,20,25,30-hexakis[(benzyloxy)methyl]-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
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)-4,9,14,19,24,29-Hexakis(benzyloxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodeca(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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