物質
J-GLOBAL ID：200907034802606607   日化辞番号：J927.410C

(1S,3S,6S,9S,12S,14R,16R,18S,20S,21S,22S,23R,27R,30S,32R,33S,34S,36S,37S)-20-{[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]メチル}-21-ヒドロキシ-14,22-ジメチル-8,15-ジメチリデン-2,19,24,31,35,38,40,41,42-ノナオキサノナシクロ[25.9.2.13,33.13,34.16,9.112,16.018,23.030,37.032,36]ドテトラコンタン-25-オン

(2S,4aα,8R,11S,12S,13S,14S,15R,16S,17S,19S,22S,25S,28S,30R,31aβ,33R)-2β-[[(R)-2,2-Dimethyl-1,3-dioxolan-4α-yl]methyl]-3β-hydroxy-4α,33-dimethyl-24,32-bismethylene-3,4,4a,7,8,9,10,11,12,13,14,15,16,17,18,19,21,22,23,24,25,26,27,28,31,31a-hexacosahydro-20H-8,12:11,15:13,19:14,17:16,19:22,25-hexaepoxy-28,30-propano-2H,6H,30H-1,5,29-trioxa-1H-benzocyclononacosen-6-one
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： C43H62O13
分子式フリガナ： C43-H62-O13
分子量： 786.956
InChI： InChI=1S/C43H62O13/c1-20-13-24-7-9-28-21(2)14-26(47-28)11-12-43-18-33-38(55-43)39-40(52-33)41(56-43)37-29(51-39)10-8-25(49-37)16-34(44)53-36-23(4)35(45)31(15-27-19-46-42(5,6)54-27)50-32(36)17-30(48-24)22(20)3/h20,23-33,35-41,45H,2-3,7-19H2,1,4-6H3/t20-,23+,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+,35+,36-,37+,38+,39+,40?,41+,43+/m1/s1
InChI key： JJJMHUVAAMDAOP-YKZNJICOSA-N
SMILES： C[C@@H]1C[C@@H]2CC[C@@H]3O[C@H](CC3=C)CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O[C@H]7CC[C@H](CC(=O)O[C@@H]8[C@@H](C)[C@H](O)[C@H](C[C@@H]9COC(C)(C)O9)O[C@H]8C[C@@H](O2)C1=C)O[C@@H]7[C@@H]6O3)[C@H]5O4
体系名 (3件)：
  • (2S,4aα,8R,11S,12S,13S,14S,15R,16S,17S,19S,22S,25S,28S,30R,31aβ,33R)-2β-[[(R)-2,2-ジメチル-1,3-ジオキソラン-4α-イル]メチル]-3β-ヒドロキシ-4α,33-ジメチル-24,32-ビスメチレン-3,4,4a,7,8,9,10,11,12,13,14,15,16,17,18,19,21,22,23,24,25,26,27,28,31,31a-ヘキサコサヒドロ-20H-8,12:11,15:13,19:14,17:16,19:22,25-ヘキサエポキシ-28,30-プロパノ-2H,6H,30H-1,5,29-トリオキサ-1H-ベンゾシクロノナコセン-6-オン
  • (1S,3S,6S,9S,12S,14R,16R,18S,20S,21S,22S,23R,27R,30S,32R,33S,34S,36S,37S)-20-{[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]メチル}-21-ヒドロキシ-14,22-ジメチル-8,15-ジメチリデン-2,19,24,31,35,38,40,41,42-ノナオキサノナシクロ[25.9.2.13,33.13,34.16,9.112,16.018,23.030,37.032,36]ドテトラコンタン-25-オン
  • (1S,3S,6S,9S,12S,14R,16R,18S,20S,21S,22S,23R,27R,30S,32R,33S,34S,36S,37S)-20-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-21-hydroxy-14,22-dimethyl-8,15-dimethylidene-2,19,24,31,35,38,40,41,42-nonaoxanonacyclo[25.9.2.13,33.13,34.16,9.112,16.018,23.030,37.032,36]dotetracontan-25-one
その他の名称 (1件)：
  • (2S,4aα,8R,11S,12S,13S,14S,15R,16S,17S,19S,22S,25S,28S,30R,31aβ,33R)-2β-[[(R)-2,2-Dimethyl-1,3-dioxolan-4α-yl]methyl]-3β-hydroxy-4α,33-dimethyl-24,32-bismethylene-3,4,4a,7,8,9,10,11,12,13,14,15,16,17,18,19,21,22,23,24,25,26,27,28,31,31a-hexacosahydro-20H-8,12:11,15:13,19:14,17:16,19:22,25-hexaepoxy-28,30-propano-2H,6H,30H-1,5,29-trioxa-1H-benzocyclononacosen-6-one
シソーラスmap：
シソーラスmap

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