857826-53-0
DIBENZO[BG]PYRROCOLINE-2,3,9,10-TETROL, 5,6,12,12A-TETRAHYDRO-, TETRABENZOATE
NameDIBENZO[BG]PYRROCOLINE-2,3,9,10-TETROL, 5,6,12,12A-TETRAHYDRO-, TETRABENZOATE
1Identification
【Name】
DIBENZO[BG]PYRROCOLINE-2,3,9,10-TETROL, 5,6,12,12A-TETRAHYDRO-, TETRABENZOATE
【CAS】
【MDL】
MFCD17018127
【English Synonyms】
【Formula】
C44 H31 N O8
【MolWeight】
701.728
【Inchi】
InChI=1S/C44H31NO8/c46-41(28-13-5-1-6-14-28)50-36-23-32-21-22-45-27-33-24-37(51-42(47)29-15-7-2-8-16-29)39(53-44(49)31-19-11-4-12-20-31)26-35(33)40(45)34(32)25-38(36)52-43(48)30-17-9-3-10-18-30/h1-20,23-26,40H,21-22,27H2
【InChIKey】
InChIKey=FOROSZRZWIQTEX-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)Oc2cc3c(cc2OC(=O)c4ccccc4)C5c6cc(c(cc6CN5CC3)OC(=O)c7ccccc7)OC(=O)c8ccccc8
【MOL File】
DIBENZO[BG]PYRROCOLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIBENZO[BG]PYRROCOLINE-2,3,9,10-TETROL, 5,6,12,12A-TETRAHYDRO-, TETRABENZOATE.cml