104443-43-8 (乌拉霉素C,urdamycin C)

快速询单

结构式：

乌拉霉素CMOL文件

CAS号：

104443-43-8

中文名称：

乌拉霉素C

英文名称：

urdamycin C

分子式：

C₅₁H₆₀O₁₉

分子量：

977.010717391968

乌拉霉素C(104443-43-8)名称与标识符

名称

英文别名：

urdamycin C;(1R)-1,5-anhydro-2,6-dideoxy-3-O-{(2S,5S;Benz(7,8)anthra(9,1-bc)pyran-2,6,13(10H)-trione, 5-(2,6-dideoxy-3-O-((2S-(2alpha,5beta,6beta))-5-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-9a,11,12,13a-tetrahydro-7,9a,11-trihydroxy-3-(4-hydroxyphenyl)-11-methyl-13a-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-, (9aR-(9aalpha,11alpha,13aalpha(2S*,5S*,6S*)))-;(3S,6R,8R)-15-[(2R,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]-6,8,14-trihydroxy-3-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-18-(4-hydroxyphenyl)-6-methyl-20-oxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2(11),9,13,15,17-hexaene-4,12,19-trione;104443-43-8;

标识符

InChIKey：

APMRFKHSHVYRKV-ISORPGPBSA-N

Inchi：

1S/C51H60O19/c1-21-30(53)10-12-37(64-21)70-51-35(55)19-49(5,61)20-50(51,62)15-14-27-42(51)47-40-29(39(48(60)69-47)25-6-8-26(52)9-7-25)16-28(46(59)41(40)45(27)58)33-18-34(44(57)24(4)63-33)68-36-13-11-32(22(2)65-36)67-38-17-31(54)43(56)23(3)66-38/h6-9,14-16,21-24,30-34,36-38,43-44,52-54,56-57,59,61-62H,10-13,17-20H2,1-5H3/t21-,22+,23-,24-,30+,31-,32+,33-,34-,36+,37+,38+,43-,44-,49+,50+,51+/m1/s1

SMILES：

O([C@H]1CC[C@@H]([C@@H](C)O1)O)[C@]12C(C[C@@](C)(C[C@]1(C=CC1C(C3=C(C(=CC4=C(C5C=CC(=CC=5)O)C(=O)OC(=C34)C2=1)[C@H]1C[C@H]([C@@H]([C@@H](C)O1)O)O[C@H]1CC[C@@H]([C@H](C)O1)O[C@H]1C[C@H]([C@@H]([C@@H](C)O1)O)O)O)=O)O)O)=O