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97387-93-4 | Phenanthro(9,10-g)pyrrolo(1,2-b)isoquinoline, 9,10,12,13,14,14a,15,16-octahydro-2,3,6-trimethoxy-, (S)-
CAS No: 97387-93-4 Catalog No: AG00H8YC MDL No:
Product Description
Catalog Number:
AG00H8YC
Chemical Name:
Phenanthro(9,10-g)pyrrolo(1,2-b)isoquinoline, 9,10,12,13,14,14a,15,16-octahydro-2,3,6-trimethoxy-, (S)-
CAS Number:
97387-93-4
Molecular Formula:
C27H29NO3
Molecular Weight:
415.5241
IUPAC Name:
(22S)-4,5,10-trimethoxy-18-azahexacyclo[12.11.0.02,7.08,13.016,24.018,22]pentacosa-1(14),2,4,6,8(13),9,11,16(24)-octaene
InChI:
InChI=1S/C27H29NO3/c1-29-19-6-7-20-21-11-17-15-28-8-4-5-18(28)9-16(17)10-22(21)24-13-26(30-2)27(31-3)14-25(24)23(20)12-19/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3/t18-/m0/s1
InChI Key:
ABHZNXWGGBGWCA-SFHVURJKSA-N
SMILES:
COc1ccc2c(c1)c1cc(OC)c(cc1c1c2CC2=C(C1)C[C@H]1N(C2)CCC1)OC
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
415.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.533g/mol
Monoisotopic Mass:
415.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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