oxycanthine
Molecular Formula:
C
37
H
40
N
2
O
6
InChI:
InChI=1/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
InChIKey:
InChIKey=HGNHIFJNOKGSKI-WDYNHAJCBQ
SMILES:
[H][C@@]12Cc3ccc(O)c(Oc4ccc(C[C@]5([H])N(C)CCc6cc(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)cc4)c3
CAS number 548-40-3
Names:
Oxyacanthine
oxyacanthine
oxycanthine
Registries:
PubChem CID 442333
Beilstein =78855
CAS 548-40-3 (from NIST)
ChEBI 7853
Kegg C09598
PubChem ID 10299009
PubChem ID 11789