58857-02-6 (安布替星,L-gluco-Non-8-enonicacid,3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-,(8E)-)

快速询单

结构式：

安布替星MOL文件

CAS号：

58857-02-6

中文名称：

安布替星

英文名称：

L-gluco-Non-8-enonicacid,3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-,(8E)-

分子式：

C₂₈H₄₂O₆

分子量：

474.629489421844

简介：

安布替星（Ambruticin）CAS号58857-02-6，分子式C28H42O6分子量，474.6295。

安布替星(58857-02-6)名称与标识符

名称

中文别名：

安布替星;

英文别名：

L-gluco-Non-8-enonicacid,3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-,(8E)-;Ambruticin;2H-Pyran-2-acetic acid, 6-(2-(2-(5-(6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl)-3-methylcyclopropyl)ethenyl)tetrahydro-4,5-dihydroxy-;6-(2-(2-(5-(6-Ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl)-3-methylcyclopropyl)vinyl)tetrahydro-4,5-dihydroxy-2H-pyran-2-acetic acid;Ambrutic;Ambruticin [USAN:INN];Ambruticine;Ambruticine [INN-French];Ambruticino;Ambruticino [INN-Spanish];Ambruticinum;W 7783;CHEMBL522783;NSC-328415;Antibiotic acid S;CHEBI:220039;Ambruticin S;DTXSID701024202;2-[(2S,4S,5R,6S)-6-[(E)-2-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid;W7783;(+)-AMBRUTICIN;Ambruticin (USAN/INN);AMBRUTICIN [INN];58857-02-6;(+)-AMBRUTICIN S;Q27293636;W-7783;X794618736;D02883;AKOS040750394;6-[2-[2-[5-(6-Ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl]vinyl]tetrahydro-4,5-dihydroxy-2H-pyran-2-acetic acid;NSC 328415;SMP-78 acid S;UNII-X794618736;Ambruticinum [INN-Latin];AMBRUTICIN [USAN];SCHEMBL397001;SMP 78 Acid S;

标识符

InChIKey：

TYIXBSJXUFTELJ-LQJOTGEPSA-N

Inchi：

1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+/t16-,19-,20+,21+,22+,23+,24-,25-,26+,28-/m1/s1

SMILES：

O1[C@H](CC(=O)O)C[C@@H]([C@H]([C@@H]1/C=C/[C@@H]1[C@@H](/C=C/[C@@H](C)/C=C(\C)/[C@H]2CC=C(C)[C@@H](CC)O2)[C@H]1C)O)O