Catalog Number:
AG001OVH
Chemical Name:
Pheophorbide a
CAS Number:
15664-29-6
Molecular Formula:
C35H38N4O5
Molecular Weight:
594.7000
MDL Number:
MFCD00210345
IUPAC Name:
3-[(3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid
InChI:
InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,38,42H,1,9-11H2,2-7H3,(H,40,41)/t17-,21-,31+/m0/s1
InChI Key:
RKEBXTALJSALNU-LDCXZXNSSA-N
SMILES:
COC(=O)[C@@H]1C2=C3C(=C(C(N3)/C=c/3\[nH]/c(=C\c4[nH]c(/C=C/5\N=C2[C@@H](CCC(=O)O)[C@@H]5C)c(C)c4C=C)/c(c3CC)C)C)C1=O
EC Number:
239-738-5
UNII:
IA2WNI2HO2
NSC Number:
75783
