157698-34-5 (藏红花素A,Crocacin A)

快速询单

结构式：

藏红花素AMOL文件

CAS号：

157698-34-5

中文名称：

藏红花素A

英文名称：

Crocacin A

分子式：

C₃₁H₄₂N₂O₆

分子量：

538.67498922348

藏红花素A(157698-34-5)名称与标识符

名称

英文别名：

DTXSID001099660;Crocacin A;Glycine, N-[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-2,5-hexadien-1-yl]-, methyl ester;N-[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-Dimethoxy-3,6,8-trimethyl-1-oxo-11-phenyl-2,4,10-undecatrien-1-yl]amino]-1-oxo-2,5-hexadien-1-yl]glycine methyl ester;CHEMBL487367;methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate;[(2Z,5Z)-6-((6S,7S,8S,9S)-(2E,4E,10E)-7,9-Dimethoxy-3,6,8-trimethyl-11-phenyl-undeca-2,4,10-trienoylamino)-hexa-2,5-dienoylamino]-acetic acid, methyl ester;Methyl 2-[6-((2E,4E,10E)(6S,7S,9S,8R)-7,9-dimethoxy-3,6,8-trimethyl-11-phenylundeca-2,4,10-trienoylamino)(2Z,5Z)hexa-2,5-dienoylamino]acetate;157698-34-5;SCHEMBL3122082;methyl 2-[[(2Z,5Z)-6-[[(2E,4E,6S,7S,8R,9S,10E)-7,9-dimethoxy-3,6,8-trimethyl-11-phenyl-undeca-2,4,10-trienoyl]amino]hexa-2,5-dienoyl]amino]acetate;Crocacin;(+)-Crocacin A;

标识符

InChIKey：

XHTUDGVBJDVOEZ-PSXYSELWSA-N

Inchi：

1S/C31H42N2O6/c1-23(21-29(35)32-20-12-8-11-15-28(34)33-22-30(36)38-5)16-17-24(2)31(39-6)25(3)27(37-4)19-18-26-13-9-7-10-14-26/h7,9-21,24-25,27,31H,8,22H2,1-6H3,(H,32,35)(H,33,34)/b15-11-,17-16+,19-18+,20-12-,23-21+/t24-,25+,27-,31-/m0/s1

SMILES：

O(C)[C@@H]([C@H](/C=C/C(=C/C(N/C=C\C/C=C\C(NCC(=O)OC)=O)=O)/C)C)[C@H](C)[C@H](/C=C/C1C=CC=CC=1)OC