物質
J-GLOBAL ID：201207022982689413   日化辞番号：J3.113.953H

(2R,4S,5S,7R,9S,10S,12R,14R,15S,17R,19S,20S,22R,24S,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,9-(フェニルホスフィンジイルビスメチレン)-19,24-(フェニルホスフィンジイルビスメチレン)-14,29-ビス(メトキシメチル)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカメトキシ-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,4S,5S,7R,9S,10S,12R,14R,15S,17R,19S,20S,22R,24S,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,9-(Phenylphosphinediylbismethylene)-19,24-(phenylphosphinediylbismethylene)-14,29-bis(methoxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-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： C62H94O26P2
分子式フリガナ： C62-H94-O26-P2
分子量： 1317.356
InChI： InChI=1S/C62H94O26P2/c1-63-25-33-39-45(65-3)51(71-9)57(77-33)85-41-35-27-89(31-21-17-15-18-22-31)30-38-44(88-61(81-35)55(75-13)47(41)67-5)50(70-8)54(74-12)60(80-38)84-40-34(26-64-2)78-58(52(72-10)46(40)66-4)86-42-36-28-90(32-23-19-16-20-24-32)29-37-43(49(69-7)53(73-11)59(79-37)83-39)87-62(82-36)56(76-14)48(42)68-6/h15-24,33-62H,25-30H2,1-14H3/t33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,89?,90?/m1/s1
InChI key： PQTIZDMIHSKBGO-KDSGZYINSA-N
SMILES： COC[C@H]1O[C@@H]2O[C@@H]3[C@H]4CP(C[C@H]5O[C@@H](O[C@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@H]8CP(C[C@H]9O[C@@H](O[C@@H]1[C@@H](OC)[C@H]2OC)[C@H](OC)[C@H](OC)[C@@H]9O[C@H](O8)[C@H](OC)[C@@H]7OC)c1ccccc1)[C@H](OC)[C@@H]6OC)[C@H](OC)[C@H](OC)[C@@H]5O[C@H](O4)[C@H](OC)[C@@H]3OC)c1ccccc1
体系名 (3件)：
  • (2R,4S,5S,7R,9S,10S,12R,14R,15S,17R,19S,20S,22R,24S,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,9-(フェニルホスフィンジイルビスメチレン)-19,24-(フェニルホスフィンジイルビスメチレン)-14,29-ビス(メトキシメチル)-31,32,33,34,35,36,37,38,39,40,41,42-ドデカメトキシ-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,4R,5R,6S,7S,11S,13R,14R,15R,16S,18R,20R,21S,23R,24R,25R,26S,27S,31S,33R,34R,35R,36S,38R,40R,41R,42R,45R,46R)-4,5,14,15,24,25,34,35,41,42,45,46-ドデカメトキシ-20,40-ビス(メトキシメチル)-9,29-ジフェニル-2,12,17,19,22,32,37,39,43,44,47,48-ドデカオキサ-9,29-ジホスファノナシクロ[36.2.2.218,21.13,7.16,13.123,27.126,33.011,16.031,36]オクタテトラコンタン
  • (1S,3R,4R,5R,6S,7S,11S,13R,14R,15R,16S,18R,20R,21S,23R,24R,25R,26S,27S,31S,33R,34R,35R,36S,38R,40R,41R,42R,45R,46R)-4,5,14,15,24,25,34,35,41,42,45,46-dodecamethoxy-20,40-bis(methoxymethyl)-9,29-diphenyl-2,12,17,19,22,32,37,39,43,44,47,48-dodecaoxa-9,29-diphosphanonacyclo[36.2.2.218,21.13,7.16,13.123,27.126,33.011,16.031,36]octatetracontane
その他の名称 (1件)：
  • (2R,4S,5S,7R,9S,10S,12R,14R,15S,17R,19S,20S,22R,24S,25S,27R,29R,30S,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-4,9-(Phenylphosphinediylbismethylene)-19,24-(phenylphosphinediylbismethylene)-14,29-bis(methoxymethyl)-31,32,33,34,35,36,37,38,39,40,41,42-dodecamethoxy-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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