物質
J-GLOBAL ID：200907073460289839   日化辞番号：J2.085.377H

ギムノシンB

Gymnocin B
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： C62H92O20
分子式フリガナ： C62-H92-O20
分子量： 1157.398
InChI： InChI=1S/C62H92O20/c1-29(27-63)7-8-30-25-59(3)54(68-30)15-31(65)57-49(80-59)21-40-42(78-57)17-36-38(71-40)19-47-45(72-36)23-55-58(2,79-47)14-13-34-32(75-55)9-10-33-35(70-34)16-41-44(69-33)22-52(67)62(6)56(77-41)24-46-48(81-62)20-39-37(73-46)18-43-50(74-39)26-60(4)53(76-43)12-11-51(66)61(5,28-64)82-60/h7,27,30-57,64-67H,8-26,28H2,1-6H3/b29-7+/t30-,31-,32+,33-,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-/m0/s1
InChI key： HARILJRNCKKWEI-KHANFNDVSA-N
SMILES： C/C(=C\C[C@H]1C[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@@H]6O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@@H]%10O[C@@H]%11C[C@@H]%12O[C@@H]%13C[C@@H]%14O[C@@H]%15CC[C@H](O)[C@@](C)(CO)O[C@@]%15(C)C[C@H]%14O[C@H]%13C[C@H]%12O[C@@]%11(C)[C@@H](O)C[C@H]%10O[C@H]9CC[C@H]8O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3[C@@H](O)C[C@H]2O1)/C=O
体系名 (3件)：
  • (2E,5S,7S,8R,10S,11S,12R,14S,15R,17S,18R,20S,21R,23S,24R,27S,28R,31S,32R,34S,35R,37S,38S,39R,41S,42R,44S,45R,47S,48R,50S,51R,54S,55R)-10,37,54,56-テトラヒドロキシ-2,7,24,38,50,55-ヘキサメチル-5,8:7,12:11,15:14,18:17,21:20,24:23,28:27,32:31,35:34,39:38,42:41,45:44,48:47,51:50,55-ペンタデカエポキシヘキサペンタコンタン-2-エン-1-オン
  • (2E)-2-メチル-4-[(1R,3S,6R,8S,10R,12S,14R,16S,18S,20R,22S,23S,25R,27S,29R,31S,33R,36S,38R,40S,41S,43R,45S,47R,49S,51R,52S,55R,57S,59R,61S,63R,65S)-22,40,52-トリヒドロキシ-51-(ヒドロキシメチル)-6,16,41,49,51-ペンタメチル-2,7,11,15,19,24,28,32,37,42,46,50,56,60,64-ペンタデカオキサペンタデカシクロ[34.30.0.03,33.06,31.08,29.010,27.012,25.014,23.016,20.038,65.041,63.043,61.045,59.047,57.049,55]ヘキサヘキサコンタン-18-イル]ブタ-2-エナール
  • (2E)-2-methyl-4-[(1R,3S,6R,8S,10R,12S,14R,16S,18S,20R,22S,23S,25R,27S,29R,31S,33R,36S,38R,40S,41S,43R,45S,47R,49S,51R,52S,55R,57S,59R,61S,63R,65S)-22,40,52-trihydroxy-51-(hydroxymethyl)-6,16,41,49,51-pentamethyl-2,7,11,15,19,24,28,32,37,42,46,50,56,60,64-pentadecaoxapentadecacyclo[34.30.0.03,33.06,31.08,29.010,27.012,25.014,23.016,20.038,65.041,63.043,61.045,59.047,57.049,55]hexahexacontan-18-yl]but-2-enal
その他の名称 (3件)：
  • (2E,5S,7S,8R,10S,11S,12R,14S,15R,17S,18R,20S,21R,23S,24R,27S,28R,31S,32R,34S,35R,37S,38S,39R,41S,42R,44S,45R,47S,48R,50S,51R,54S,55R)-10,37,54,56-Tetrahydroxy-2,7,24,38,50,55-hexamethyl-5,8:7,12:11,15:14,18:17,21:20,24:23,28:27,32:31,35:34,39:38,42:41,45:44,48:47,51:50,55-pentadecaepoxyhexapentacontane-2-ene-1-one
  • Gymnocin B
  • ギムノシンB
シソーラスmap：
シソーラスmap

前のページに戻る

TOP

BOTTOM