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138964-88-2 | Dibenzo[f,h]pyrrolo[1,2-b]isoquinolin-4-ol, 8b,9,11,12,13,13a-hexahydro-3,6,7-trimethoxy-, (8bS,13aS)-
CAS No: 138964-88-2 Catalog No: AG0019X9 MDL No:
Product Description
Catalog Number:
AG0019X9
Chemical Name:
Dibenzo[f,h]pyrrolo[1,2-b]isoquinolin-4-ol, 8b,9,11,12,13,13a-hexahydro-3,6,7-trimethoxy-, (8bS,13aS)-
CAS Number:
138964-88-2
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
IUPAC Name:
(8bS,13aS)-3,6,7-trimethoxy-8b,9,11,12,13,13a-hexahydrophenanthro[9,10-f]indolizin-4-ol
InChI:
InChI=1S/C23H25NO4/c1-26-19-7-6-14-15-9-13-5-4-8-24(13)12-18(15)16-10-20(27-2)21(28-3)11-17(16)22(14)23(19)25/h6-7,9-11,13,18,25H,4-5,8,12H2,1-3H3/t13-,18-/m0/s1
InChI Key:
KXSJHSREHJDQJT-UGSOOPFHSA-N
SMILES:
COc1cc2c(cc1OC)[C@H]1CN3CCC[C@H]3C=C1c1c2c(O)c(cc1)OC
NSC Number:
650395
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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