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98985-59-2 | 2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methyl-naphthalen-1-ol
CAS No: 98985-59-2 Catalog No: AG006PK3 MDL No:
Product Description
Catalog Number:
AG006PK3
Chemical Name:
2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methyl-naphthalen-1-ol
CAS Number:
98985-59-2
Molecular Formula:
C26H31NO4
Molecular Weight:
421.5286
IUPAC Name:
2-[(1R,3S)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol
InChI:
InChI=1S/C26H31NO4/c1-14-11-17-9-8-10-19(29-5)23(17)25(28)21(14)24-20(30-6)13-18-12-15(2)27(4)16(3)22(18)26(24)31-7/h8-11,13,15-16,28H,12H2,1-7H3/t15-,16+/m0/s1
InChI Key:
BHQAJMGEYYHIGV-JKSUJKDBSA-N
SMILES:
COc1cc2C[C@H](C)N([C@@H](c2c(c1c1c(C)cc2c(c1O)c(OC)ccc2)OC)C)C
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
421.225g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.537g/mol
Monoisotopic Mass:
421.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| Ancistrotanzanine C and related 5,1'- and 7,3'-coupled naphthylisoquinoline alkaloids from Ancistrocladus tanzaniensis. | Journal of natural products 20040501 |
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