化学式

CAS号

79633-18-4

IUPAC Name

[(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-二羟基-6-甲基-3-(甲基氨基)四氢吡喃-2-基]氧基-4-[(4R)-2-氧代-1,3-二氧杂烷-4-基]-5-氧杂三环[8.3.0.04,6]trideca-1(13),9-二烯-2,7-壬二烯-12-基]2-羟基-7-甲氧基-5-甲基萘-1-甲酸基酯 [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate

InChI

InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1

InChI Key

QZGIWPZCWHMVQL-UIYAJPBUSA-N

Canonical SMILES

CC1C(C(C(C(O1)OC2C(C=C3C2=CC#CC4C(O4)(C#C3)C5COC(=O)O5)OC(=O)C6=C(C=CC7=C6C=C(C=C7C)OC)O)NC)O)O

别名

• Neocarzinostatin chromophore
• Ncs-chrom
• Neocarzinostatin chromophore I
• Ncs-Chromophore
• UNII-2SJ8J82D90
• NEOCARZINOSTATIN-CHROMOPHORE
• 2SJ8J82D90
• 79633-18-4
• 81604-85-5
• Neocarzinostatin chrom I
• Chromophore
• Neocarzinostatin chromophore A
• 1o5p
• C12049
• (+)-neocarzinostatin chromophore
• CHEBI:29655
• DB04408
• 23384-EP2289876A1
• 23384-EP2305219A1
• 23384-EP2305642A2
• 23384-EP2305695A2
• 23384-EP2305696A2
• 23384-EP2305697A2
• 23384-EP2305698A2
• 23384-EP2311802A1
• 23384-EP2311803A1
• 23384-EP2314582A1
• 23384-EP2374454A1
• Q26847067
• (1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methyl-1-naphthoate
• (1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
• [(4S,6R,9E,11R,12R)-11-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-4-[(4R)-2-oxo-1,3-dioxolan-4-yl]-5-oxatricyclo[8.3.0.04,6]trideca-1(13),9-dien-2,7-diyn-12-yl] 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate