102583-47-1 (井冈霉素乙,Validamycin B)

CAS号:
102583-47-1
中文名称:
井冈霉素乙
英文名称:
Validamycin B
分子式:
C20H35NO14
分子量:
513.490207910538

井冈霉素乙(102583-47-1)名称与标识符

名称

中文别名:
井冈霉素乙;
英文别名:
D-chiro-Inositol,1,5-dideoxy-4-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-;(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1R,2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-trio;Antibiotic T-7545-B;BRN 5187663;LS-161264;SureCN5161534;T-7545-B;validamycin B;

标识符

InChIKey:
QYKWCMVFBWGYRE-IVFZNUECSA-N
Inchi:
1S/C20H35NO14/c22-2-5-1-7(12(27)15(30)10(5)25)21-9-11(26)6(3-23)19(17(32)14(9)29)35-20-18(33)16(31)13(28)8(4-24)34-20/h1,6-33H,2-4H2/t6-,7+,8-,9+,10-,11+,12+,13-,14-,15+,16+,17+,18-,19+,20+/m0/s1
SMILES:
O([C@@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1CO)O)N[C@@H]1C=C(CO)[C@@H]([C@H]([C@@H]1O)O)O)O)O

井冈霉素乙(102583-47-1)物化性质

实验特性

  • PSA : 273.25

计算特性

  • 精确分子量 : 513.20575