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342884-71-3 | (4bS,8R,8aS,14bR)-5,6,7,8,14,14b-Hexahydro-7-(2-methyl-2-propenyl)-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diolhydrochloride
CAS No: 342884-71-3 Catalog No: AG01ENR5 MDL No:
Product Description
Catalog Number:
AG01ENR5
Chemical Name:
(4bS,8R,8aS,14bR)-5,6,7,8,14,14b-Hexahydro-7-(2-methyl-2-propenyl)-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diolhydrochloride
CAS Number:
342884-71-3
Molecular Formula:
C26H27ClN2O3
Molecular Weight:
450.9572
IUPAC Name:
(1S,2S,13R)-22-(2-methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
InChI:
InChI=1S/C26H26N2O3.ClH/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22;/h3-8,20,24,27,29-30H,1,9-13H2,2H3;1H/t20?,24-,25-,26+;/m0./s1
InChI Key:
QLLCUVACGPLGAX-XXCZMEBESA-N
SMILES:
CC(=C)CN1CC[C@]23[C@@]4(C1Cc1c2c(O[C@H]3c2c(C4)c3ccccc3[nH]2)c(cc1)O)O.Cl
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
450.171g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
450.963g/mol
Monoisotopic Mass:
450.171g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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