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77-53-2 | (+)-Cedrol
CAS No: 77-53-2 Catalog No: AG005H36 MDL No:MFCD00062952
Product Description
Catalog Number:
AG005H36
Chemical Name:
(+)-Cedrol
CAS Number:
77-53-2
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
MDL Number:
MFCD00062952
IUPAC Name:
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
InChI:
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
InChI Key:
SVURIXNDRWRAFU-OGMFBOKVSA-N
SMILES:
C[C@@H]1CC[C@@H]2[C@]31CC[C@@]([C@H](C3)C2(C)C)(C)O
EC Number:
201-035-6
UNII:
63ZM9703BO
FEMA Number:
4503
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
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