Chem
J-GLOBAL ID：201907008646335106   Nikkaji number：J3.736.626I

Ostreocin E1

オストレオシンE1
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C127H217N3O52
Molecular formula furigana： C127-H217-N3-O52
Molecular weight： 2618.102
InChI： InChI=1S/C127H217N3O52/c1-64(31-36-80(140)110(158)105(153)68(5)49-96-114(162)118(166)113(161)94(177-96)40-39-75(135)82(142)52-72-51-73-54-95(174-72)92(173-73)42-41-91-85(145)53-74(63-128)175-91)24-22-28-77(137)106(154)76(136)26-17-11-8-13-19-29-93-112(160)117(165)115(163)99(176-93)56-84(144)83(143)55-97-109(157)88(148)58-98(178-97)107(155)79(139)37-34-69(132)33-32-66(3)90(150)62-127(172)123(170)89(149)59-101(180-127)108(156)78(138)27-18-12-9-15-21-44-126-61-65(2)60-125(6,182-126)102(181-126)30-20-14-7-10-16-25-70(133)50-86(146)111(159)120(168)122-121(169)119(167)116(164)100(179-122)57-87(147)104(152)67(4)48-71(134)35-38-81(141)124(171)130-46-43-103(151)129-45-23-47-131/h8,11,13,17,19,22,24,29,32-33,39-40,43,46,48,65-66,68-102,104-123,131-150,152-170,172H,1,7,9-10,12,14-16,18,20-21,23,25-28,30-31,34-38,41-42,44-45,47,49-63,128H2,2-6H3,(H,129,151)(H,130,171)/b13-8-,17-11+,24-22-,29-19+,33-32+,40-39-,46-43+,67-48+
InChI key： YKTXNKVAMXZFHI-PPLVJVEOSA-N
SMILES： OCCCNC(=O)/C=C/NC(=O)C(CCC(/C=C(/C(C(CC1OC(C(C(C1O)O)O)C(O)C(O)C(O)CC(O)CCCCCCCC1C2(CC(CC(O1)(O2)CCCCCCCC(C(C1CC(C(C(O1)(CC(C(/C=C/C(CCC(C(O)C1CC(C(C(O1)CC(C(CC1C(C(C(C(O1)/C=C/C=C\C=C\CC(O)C(C(C/C=C\C(=C)CCC(C(O)C(C(CC1OC(C(C(C1O)O)O)/C=C\C(C(CC1CC2OC(C(O1)C2)CCC1C(CC(O1)CN)O)O)O)C)O)O)O)O)O)O)O)O)O)O)O)O)O)C)O)O)O)O)O)O)C)C)O)O)\C)O)O
Systematic name  (2)：
  • (6E)-10-(6-{12-[5-(9-{6-[(4E)-10-[6-(4-{6-[(1E,3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(アミノメチル)-3-ヒドロキシオキソラン-2-イル]エチル}-2,6-ジオキサビシクロ[3.2.1]オクタン-3-イル)-3,4-ジヒドロキシペンタ-1-エン-1-イル]-3,4,5-トリヒドロキシオキサン-2-イル}-8,9,10,17,18,19-ヘキサヒドロキシ-20-メチル-14-メチリデンヘンイコサ-1,3,5,12-テトラエン-1-イル]-3,4,5-トリヒドロキシオキサン-2-イル}-2,3-ジヒドロキシブチル)-4,5-ジヒドロキシオキサン-2-イル]-2,6,9,10-テトラヒドロキシ-3-メチルデカ-4-エン-1-イル]-4,5,6-トリヒドロキシオキサン-2-イル}-8,9-ジヒドロキシノニル)-1,3-ジメチル-6,8-ジオキサビシクロ[3.2.1]オクタン-7-イル]-1,2,3,5-テトラヒドロキシドデシル}-3,4,5-トリヒドロキシオキサン-2-イル)-2,5,8,9-テトラヒドロキシ-N-[(1E)-2-[(3-ヒドロキシプロピル)カルバモイル]エタ-1-エン-1-イル]-7-メチルデカ-6-エンアミド
  • (6E)-10-(6-{12-[5-(9-{6-[(4E)-10-[6-(4-{6-[(1E,3Z,5E,12Z)-21-{6-[(1Z)-5-(7-{2-[5-(aminomethyl)-3-hydroxyoxolan-2-yl]ethyl}-2,6-dioxabicyclo[3.2.1]octan-3-yl)-3,4-dihydroxypent-1-en-1-yl]-3,4,5-trihydroxyoxan-2-yl}-8,9,10,17,18,19-hexahydroxy-20-methyl-14-methylidenehenicosa-1,3,5,12-tetraen-1-yl]-3,4,5-trihydroxyoxan-2-yl}-2,3-dihydroxybutyl)-4,5-dihydroxyoxan-2-yl]-2,6,9,10-tetrahydroxy-3-methyldec-4-en-1-yl]-4,5,6-trihydroxyoxan-2-yl}-8,9-dihydroxynonyl)-1,3-dimethyl-6,8-dioxabicyclo[3.2.1]octan-7-yl]-1,2,3,5-tetrahydroxydodecyl}-3,4,5-trihydroxyoxan-2-yl)-2,5,8,9-tetrahydroxy-N-[(1E)-2-[(3-hydroxypropyl)carbamoyl]eth-1-en-1-yl]-7-methyldec-6-enamide
Other name (2)：
  • オストレオシンE1
  • Ostreocin E1
Thsaurus map：
Thesaurus Map

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