Chem
J-GLOBAL ID：201907011828769889   Nikkaji number：J3.736.625K

Ostreocin A

オストレオシンA
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： C127H219N3O54
Molecular formula furigana： C127-H219-N3-O54
Molecular weight： 2652.116
InChI： InChI=1S/C127H219N3O54/c1-62(26-32-78(140)108(158)104(154)66(5)46-94-113(163)117(167)112(162)92(178-94)37-36-74(136)81(143)50-71-49-72-52-93(176-71)91(175-72)39-38-90-84(146)51-73(61-128)177-90)27-33-79(141)110(160)109(159)76(138)24-17-13-15-22-69(134)48-95-114(164)118(168)115(165)98(179-95)54-83(145)82(144)53-96-107(157)87(149)56-97(180-96)105(155)77(139)34-30-67(132)29-28-64(3)89(151)60-127(174)123(172)88(150)57-100(182-127)106(156)75(137)23-16-10-8-12-19-41-126-59-63(2)58-125(6,184-126)101(183-126)25-18-11-7-9-14-21-68(133)47-85(147)111(161)120(170)122-121(171)119(169)116(166)99(181-122)55-86(148)103(153)65(4)45-70(135)31-35-80(142)124(173)130-43-40-102(152)129-42-20-44-131/h13,15,17,22,27-29,33,36-37,40,43,45,63-64,66-101,103-123,131-151,153-172,174H,1,7-12,14,16,18-21,23-26,30-32,34-35,38-39,41-42,44,46-61,128H2,2-6H3,(H,129,152)(H,130,173)/b17-13+,22-15-,29-28+,33-27-,37-36-,43-40+,65-45+
InChI key： WXSKRIPSZIQXAL-PNUFEJMVSA-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)CC(/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)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-[(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}-2,8,9,10,11,17,18,19-オクタヒドロキシ-20-メチル-14-メチリデンヘンイコサ-3,5,12-トリエン-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-[(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}-2,8,9,10,11,17,18,19-octahydroxy-20-methyl-14-methylidenehenicosa-3,5,12-trien-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A
  • Ostreocin A
Thsaurus map：
Thesaurus Map

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