化学式

CAS号

11011-06-6

IUPAC Name

(1S,2R,3R,6E,8S,9S,10S,12R,16S)-2-[[(3R,4R,5R,6R)-5-羟基-3,4-二甲氧基-6-methyloxan-2-基]氧基甲基]-9-[[(4S,5R,6R,7S,9R)-6-羟基-4,9-二甲基-2-氧代-1,3,8-trioxaspiro[4.5]癸烷-7-基]氧基]-3,8,10,12-四甲基-4,17-二氧杂双环[14.1.0]heptadec-6-烯-5,13-二酮 (1S,2R,3R,6E,8S,9S,10S,12R,16S)-2-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[[(4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione

InChI

InChI=1S/C37H58O15/c1-17-10-13-27(39)47-21(5)24(16-45-34-32(44-9)31(43-8)28(40)22(6)48-34)30-26(50-30)12-11-25(38)18(2)14-19(3)29(17)51-35-33(41)37(15-20(4)46-35)23(7)49-36(42)52-37/h10,13,17-24,26,28-35,40-41H,11-12,14-16H2,1-9H3/b13-10+/t17-,18+,19-,20+,21+,22+,23-,24+,26-,28+,29+,30-,31+,32+,33-,34?,35-,37-/m0/s1

InChI Key

OQBVBRTUEKMEAX-HEVCIBIJSA-N

Canonical SMILES

CC1CC(C(=O)CCC2C(O2)C(C(OC(=O)C=CC(C1OC3C(C4(CC(O3)C)C(OC(=O)O4)C)O)C)C)COC5C(C(C(C(O5)C)O)OC)OC)C

别名

• Aldgamycin E
• 11011-06-6
• (1S,2R,3R,8S,9S,10S,12R,16S,E)-2-((((3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-9-(((4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl)oxy)-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione