オアソマイシンA

Oasomycin A

構造情報あり
分子式： C₅₅H₉₄O₁₇
分子式フリガナ： C55-H94-O17
分子量： 1027.339

InChI： InChI=1S/C55H94O17/c1-30-14-10-11-18-44(61)35(6)53(68)31(2)15-12-16-33(4)55(70)72-49(38(9)50-22-23-51(66)71-50)19-13-17-39(56)25-40(57)27-45(62)36(7)54(69)37(8)46(63)28-41(58)26-42(59)29-48(65)47(64)24-34(5)52(67)32(3)20-21-43(30)60/h10,13-14,16-17,20-21,24,30-32,35-50,52-54,56-65,67-69H,11-12,15,18-19,22-23,25-29H2,1-9H3/b14-10+,17-13+,21-20+,33-16+,34-24+/t30-,31-,32-,35-,36-,37-,38-,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,49-,50+,52+,53+,54-/m0/s1

InChI key： XPHCLQKEPBACSY-YXWKDPFISA-N

SMILES： C[C@H]([C@H]1CCC(=O)O1)[C@@H]1C/C=C/[C@@H](O)C[C@H](O)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H](O)/C=C(\C)/[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@H](C)[C@H](O)[C@@H](C)CC/C=C(\C)/C(=O)O1

体系名 (3件)：

(3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-42-[(R)-1-[(R)-テトラヒドロ-5-オキソフラン-2-イル]エチル]-8,10,16,20,23,24,26,28,30,32,34,36,38-トリデカヒドロキシ-3,7,9,15,19,21,31,33-オクタメチル-1-オキサシクロドテトラコンタ-3,13,17,21,39-ペンタエン-2-オン
(7S,8R,9S,10S,15S,16S,19S,20R,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,42S)-8,10,16,20,23,24,26,28,30,32,34,36,38-トリデカヒドロキシ-3,7,9,15,19,21,31,33-オクタメチル-42-[(1R)-1-[(2R)-5-オキソオキソラン-2-イル]エチル]-1-オキサシクロドテトラコンタ-3,13,17,21,39-ペンタエン-2-オン
(7S,8R,9S,10S,15S,16S,19S,20R,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,42S)-8,10,16,20,23,24,26,28,30,32,34,36,38-tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[(1R)-1-[(2R)-5-oxooxolan-2-yl]ethyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one

その他の名称 (3件)：

(3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-42-[(R)-1-[(R)-Tetrahydro-5-oxofuran-2-yl]ethyl]-8,10,16,20,23,24,26,28,30,32,34,36,38-tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-1-oxacyclodotetraconta-3,13,17,21,39-pentene-2-one
オアソマイシンA
Oasomycin A

シソーラスmap：

シソーラスmap

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