Catalog Number:
AG00ECFA
Chemical Name:
Benzoylhypacoitine
CAS Number:
63238-66-4
Molecular Formula:
C31H43NO9
Molecular Weight:
573.6744
MDL Number:
MFCD01673481
IUPAC Name:
[5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChI:
InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3
InChI Key:
MDFCJNFOINXVSU-UHFFFAOYSA-N
SMILES:
COC[C@]12CC[C@@H](C34[C@@H]2[C@@H](OC)C(C3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)O)OC
