Protoceratin II

プロトセラチンII

Decided structure
Molecular formula： C₆₆H₁₀₀O₂₉S₂
Molecular formula furigana： C66-H100-O29-S2
Molecular weight： 1421.620

InChI： InChI=1S/C66H100O29S2/c1-10-12-31(2)13-17-62(5,72)58-33(4)21-42-41(87-58)27-51-66(9,93-42)59(91-61-55(71)53(69)47(89-61)30-79-60-54(70)52(68)46(29-67)88-60)57-45(86-51)25-44-56(90-57)32(3)14-18-64(7)49(85-44)28-48-65(8,95-64)19-15-34-35(84-48)22-37-36(81-34)23-38-39(82-37)24-43-40(83-38)26-50(94-97(76,77)78)63(6,92-43)16-11-20-80-96(73,74)75/h10,13,17,32,34-61,67-72H,1-2,4,11-12,14-16,18-30H2,3,5-9H3,(H,73,74,75)(H,76,77,78)/b17-13+/t32-,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+,63+,64-,65+,66-/m0/s1

InChI key： UQLFWFTXAWHFED-SQADIEJYSA-N

SMILES： C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS(=O)(=O)O)[C@@](C)(CCCOS(=O)(=O)O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)[C@H](O[C@H]4O[C@@H](CO[C@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O[C@H]12)[C@](C)(O)/C=C/C(=C)CC=C

Systematic name (3)：

(4R,5S,7R,8S,10R,11S,13R,14S,16R,17S,20R,21S,23R,24S,27S,28R,29S,31R,32S,33R,34S,35S,37R,38S,41S,42R,43E)-33-(5-O-β-L-アラビノフラノシル-β-L-アラビノフラノシルオキシ)-4,20,24,27,34,42-ヘキサメチル-40,45-ビスメチレン-4,8:7,11:10,14:13,17:16,21:20,24:23,29:28,32:31,35:34,38:37,41-ウンデカエポキシオクタテトラコンタン-43,47-ジエン-1,5,42-トリオール1,5-ビススルファート
[(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35S,37S,40S,42R,44S,46R,48S)-34-{[(2R,3R,4R,5S)-5-({[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}メチル)-3,4-ジヒドロキシオキソラン-2-イル]オキシ}-40-[(2R,3E)-2-ヒドロキシ-5-メチリデンオクタ-3,7-ジエン-2-イル]-13,25,27,30,35-ペンタメチル-39-メチリデン-13-[3-(スルホオキシ)プロピル]-4,8,12,17,21,26,32,36,41,45,49-ウンデカオキサウンデカシクロ[25.22.0.0^3,25.0^5,22.0^7,20.0^9,18.0^11,16.0^31,48.0^33,46.0^35,44.0^37,42]ノナテトラコンタン-14-イル]オキシダンスルホン酸
[(1R,3S,5R,7S,9R,11S,13R,14S,16R,18S,20R,22S,25R,27S,30S,31R,33S,34R,35S,37S,40S,42R,44S,46R,48S)-34-{[(2R,3R,4R,5S)-5-({[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]oxy}-40-[(2R,3E)-2-hydroxy-5-methylideneocta-3,7-dien-2-yl]-13,25,27,30,35-pentamethyl-39-methylidene-13-[3-(sulfooxy)propyl]-4,8,12,17,21,26,32,36,41,45,49-undecaoxaundecacyclo[25.22.0.0^3,25.0^5,22.0^7,20.0^9,18.0^11,16.0^31,48.0^33,46.0^35,44.0^37,42]nonatetracontan-14-yl]oxidanesulfonic acid

Other name (3)：

(4R,5S,7R,8S,10R,11S,13R,14S,16R,17S,20R,21S,23R,24S,27S,28R,29S,31R,32S,33R,34S,35S,37R,38S,41S,42R,43E)-33-(5-O-β-L-Arabinofuranosyl-β-L-arabinofuranosyloxy)-4,20,24,27,34,42-hexamethyl-40,45-bismethylene-4,8:7,11:10,14:13,17:16,21:20,24:23,29:28,32:31,35:34,38:37,41-undecaepoxyoctatetracontane-43,47-diene-1,5,42-triol 1,5-bissulfate
Protoceratin II
プロトセラチンII

Thsaurus map：

Thesaurus Map

Return to Previous Page