149155-65-7 (Tricolorin A,Tricolorin A)

快速询单

结构式：

Tricolorin AMOL文件

CAS号：

149155-65-7

中文名称：

Tricolorin A

英文名称：

Tricolorin A

分子式：

C₄₉H₈₂O₂₁

分子量：

1007.16

Tricolorin A(149155-65-7)名称与标识符

名称

英文别名：

1,1-bis(phenylsulfanyl)ethylsulfanylbenzene;(11)-Intramol. 1,3''-11-((O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-2,4-bis-O-((2S)-2-methyl-1-oxobutyl)-alpha-L-manopyrannosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-galactopyranosyl)oxy)hexadecanoate;(11S)-Hydroxyhexadecanoic acid 11-O-alpha-L-rhamnopyranosyl-(1-3)-O-alpha-L-(2-O-(2S-methylbutyryl)-4-O-(2S-methylbutyryl))rhamnopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-beta-D-fucopyranoside-(1,3''-;2)-6-deoxy-b-D-galactopyranosyl]oxy]-, intramol. 1,3''-ester,(11S)- (9CI);2)-O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-2,4-bis-O-[(2S)-2-methyl-1-oxobutyl]-a-L-mannopyranos;3)-O-6-deoxy-2,4-bis-O-[(2S)-2-methyl-1-oxobutyl]-a-L-mannopyranosyl-(1®Tricolorin A;

标识符

InChIKey：

NVLARVWSMHZQSO-STWLXIOTSA-N

Inchi：

InChI=1S/C49H82O21/c1-8-10-16-19-28-20-17-14-12-11-13-15-18-21-30(51)64-39-32(53)29(22-50)63-49(68-40-34(55)31(52)26(6)60-47(40)62-28)42(39)70-48-43(66-44(58)23(3)9-2)41-38(27(7)61-48)65-45(59)25(5)24(4)37-35(56)33(54)36(57)46(67-37)69-41/h23-29,31-43,46-50,52-57H,8-22H2,1-7H3/t23-,24?,25-,26+,27-,28-,29+,31-,32+,33+,34-,35+,36+,37-,38-,39-,40+,41+,42?,43+,46-,47-,48-,49-/m0/s1

SMILES：

O=C1[C@@H](C)C([C@@H]2O[C@](O[C@@H]3[C@H]([C@H](C)O[C@@H](OC4([C@@H]5[C@H](O)[C@@H](CO)O[C@H]4O[C@@]4([H])[C@]([H])(O[C@@H](CCCCC)CCCCCCCCCC(O5)=O)O[C@H](C)[C@H](O)[C@@H]4O)[H])[C@@H]3OC(=O)[C@H](CC)C)O1)([H])[C@@H]([C@H](O)[C@H]2O)O)C