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132412-55-6 | 3,10b-Methano-10bH-naphtho[1,2-b]pyran-3,8,8(2H,7H)-tricarboxylic acid, 4,4a,6a,9,10,10a-hexahydro-4a-methyl-2-oxo-, trimethyl ester, (3α,4aβ,6aα,10aβ,10bβ)- (9CI)
CAS No: 132412-55-6 Catalog No: AG0010NZ MDL No:
Product Description
Catalog Number:
AG0010NZ
Chemical Name:
3,10b-Methano-10bH-naphtho[1,2-b]pyran-3,8,8(2H,7H)-tricarboxylic acid, 4,4a,6a,9,10,10a-hexahydro-4a-methyl-2-oxo-, trimethyl ester, (3α,4aβ,6aα,10aβ,10bβ)- (9CI)
CAS Number:
132412-55-6
IUPAC Name:
5-O-methoxycarbonyl 12-O-methyl (2R,7S,10S,12R)-4,10-dimethyl-13-oxo-14-oxatetracyclo[10.2.1.01,10.02,7]pentadec-8-ene-5,12-dicarboxylate
InChI:
InChI=1S/C21H26O8/c1-11-7-14-12(8-13(11)15(22)28-18(25)27-4)5-6-19(2)9-20(16(23)26-3)10-21(14,19)29-17(20)24/h5-6,11-14H,7-10H2,1-4H3/t11?,12-,13?,14-,19-,20-,21?/m1/s1
InChI Key:
QKWJDIKZBYYDSI-NEFVQTQASA-N
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
406.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.431g/mol
Monoisotopic Mass:
406.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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