物質
J-GLOBAL ID：200907081562615938   日化辞番号：J2.319.489I

(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)-31,32,33,34,35,36,37,38,39,40,41,42-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)-4,19-Bis(hydroxymethyl)-9,14,24,29-tetrakis(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： C148H156O30
分子式フリガナ： C148-H156-O30
分子量： 2414.846
InChI： InChI=1S/C148H156O30/c149-81-119-125-131(155-87-107-57-25-5-26-58-107)137(161-93-113-69-37-11-38-70-113)143(167-119)175-127-121(99-151-83-103-49-17-1-18-50-103)171-147(141(165-97-117-77-45-15-46-78-117)133(127)157-89-109-61-29-7-30-62-109)177-129-123(101-153-85-105-53-21-3-22-54-105)169-145(139(163-95-115-73-41-13-42-74-115)135(129)159-91-111-65-33-9-34-66-111)174-126-120(82-150)168-144(138(162-94-114-71-39-12-40-72-114)132(126)156-88-108-59-27-6-28-60-108)176-128-122(100-152-84-104-51-19-2-20-52-104)172-148(142(166-98-118-79-47-16-48-80-118)134(128)158-90-110-63-31-8-32-64-110)178-130-124(102-154-86-106-55-23-4-24-56-106)170-146(173-125)140(164-96-116-75-43-14-44-76-116)136(130)160-92-112-67-35-10-36-68-112/h1-80,119-150H,81-102H2/t119-,120-,121-,122-,123-,124-,125+,126+,127+,128+,129+,130+,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-/m1/s1
InChI key： MSPUPKXGCJVFMN-CMPWNIABSA-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](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 (4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)-4,9,19,24-テトラキス(ベンジルオキシメチル)-14,29-ビス(ヒドロキシメチル)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカキス(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-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)-31,32,33,34,35,36,37,38,39,40,41,42-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)-10,15,25,30-テトラキス[(ベンジルオキシ)メチル]-20-(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-5-イル]メタノール
  • [(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)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(benzyloxy)-10,15,25,30-tetrakis[(benzyloxy)methyl]-20-(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]dotetracontan-5-yl]methanol
その他の名称 (2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)-4,9,19,24-Tetrakis(benzyloxymethyl)-14,29-bis(hydroxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecakis(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
  • (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)-31,32,33,34,35,36,37,38,39,40,41,42-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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