Products for Research Use Only
RegisterLogin

E6 Berbamine

CAT: 0926-PEA78459-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-PEA78459-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
114784-59-7
Smiles
CN1CCC2=CC (=C3C=C2C1CC4=CC=C (C=C4) OC5=C (C=CC (=C5) CC6C7=C (O3) C (=C (C=C7CCN6C) OC) OC) OC (=O) C8=CC=C (C=C8) [N+] (=O) [O-]) OC
Molecular Formula
C44H43N3O9
Molecular Weight
757.8 g/mol
Controlled
No

Chemical Information

E6 berbamine

LSM-3111 is a phenylpropanoid.

CAS Number114784-59-7
PubChem CID6610268
IUPAC Name[(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-yl] 4-nitrobenzoate
Molecular FormulaC44H43N3O9
Molecular Weight757.8
XLogP7.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count56
Formal Charge0
Complexity1320
SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC
InChI
InChI=1S/C44H43N3O9/c1-45-18-16-29-23-37(51-3)39-25-33(29)34(45)20-26-6-13-32(14-7-26)54-38-22-27(8-15-36(38)56-44(48)28-9-11-31(12-10-28)47(49)50)21-35-41-30(17-19-46(35)2)24-40(52-4)42(53-5)43(41)55-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1
InChIKey
PUAVTDKYTXNVBU-OIDHKYIRSA-N
Chemical Structure
2D Structure
2D structure of E6 berbamine
CAS: 114784-59-7
CID: 6610268
Formula: C44H43N3O9
MW: 757.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight757.8
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass757.29992996
Monoisotopic Mass757.29992996
Topological Polar Surface Area125 Ų
Heavy Atom Count56
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FB65811-01Berbamine
FB71495-01Berbamine dihydrochloride
FC145291-01Chlorin e6
VAC-00715-01HPV-E6-M
VAC-00630-01HPV-E6-C
VAC-00340-01HPV-E6-N
CRB1000428-01HPV16 E6 pep11**m
FC179390-01Chlorin-e6-trimethyl ester
AAA48518-01(+) -Berbamunine
GAA19033-01Berberine sulfate

Alternative Products

CatalogName
MBS5750320Berbamine
HY-N0714RBerbamine (Standard)
HY-120997E6 Berbamine
299997Berbamine Hydrochloride
2520-500Berbamine dihydrochloride

Popular Products