化学式

CAS号

IUPAC Name

[(4S,6R,9E,11R,12R)-11-羟基-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-hydroxy-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/C28H20O9/c1-14-10-16(33-2)12-19-17(14)6-7-20(29)24(19)26(31)35-21-11-15-8-9-28(23-13-34-27(32)36-23)22(37-28)5-3-4-18(15)25(21)30/h4,6-7,10-12,21-23,25,29-30H,13H2,1-2H3/b18-4+/t21-,22-,23-,25-,28+/m1/s1

InChI Key

AFVIOXHQBSKNGE-OCAMPWMJSA-N

Canonical SMILES

CC1=CC(=CC2=C1C=CC(=C2C(=O)OC3C=C4C#CC5(C(O5)C#CC=C4C3O)C6COC(=O)O6)O)OC

别名

• SCHEMBL15892553
• Neocarzinostatin chromophore aglycon
• (+)-neocarzinostatin chromophore aglycone