Chem
J-GLOBAL ID：201907007531315806   Nikkaji number：J3.736.624B

Ostreocin D

オストレオシンD
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： C127H219N3O53
Molecular formula furigana： C127-H219-N3-O53
Molecular weight： 2636.117
InChI： InChI=1S/C127H219N3O53/c1-63(29-34-80(141)110(159)105(154)67(5)47-95-113(162)117(166)112(161)93(177-95)38-37-75(136)82(143)51-72-50-73-53-94(175-72)92(174-73)40-39-91-85(146)52-74(62-128)176-91)22-20-27-77(138)106(155)76(137)25-17-13-15-24-70(134)49-96-114(163)118(167)115(164)99(178-96)55-84(145)83(144)54-97-109(158)88(149)57-98(179-97)107(156)79(140)35-32-68(132)31-30-65(3)90(151)61-127(173)123(171)89(150)58-101(181-127)108(157)78(139)26-16-10-8-12-19-42-126-60-64(2)59-125(6,183-126)102(182-126)28-18-11-7-9-14-23-69(133)48-86(147)111(160)120(169)122-121(170)119(168)116(165)100(180-122)56-87(148)104(153)66(4)46-71(135)33-36-81(142)124(172)130-44-41-103(152)129-43-21-45-131/h13,15,17,20,22,24,30-31,37-38,41,44,46,64-65,67-102,104-123,131-151,153-171,173H,1,7-12,14,16,18-19,21,23,25-29,32-36,39-40,42-43,45,47-62,128H2,2-6H3,(H,129,152)(H,130,172)/b17-13+,22-20-,24-15-,31-30+,38-37-,44-41+,66-46+
InChI key： QJZSVGZHSZCZHY-VBSZIPAKSA-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)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}-2,8,9,10,17,18,19-ヘプタヒドロキシ-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}-2,8,9,10,17,18,19-heptahydroxy-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D
  • Ostreocin D
Thsaurus map：
Thesaurus Map

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