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Home > Other Heterocycles > 78039-78-8
78039-78-8 | (1R,4E,8E,12S,16R)-4,8,12,14,14-Pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-dien-16-ol
CAS No: 78039-78-8 Catalog No: AG00GGXI MDL No:
Product Description
Catalog Number:
AG00GGXI
Chemical Name:
(1R,4E,8E,12S,16R)-4,8,12,14,14-Pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-dien-16-ol
CAS Number:
78039-78-8
IUPAC Name:
(1R,4Z,8Z,12S,16R)-4,8,12,14,14-pentamethyl-13-oxabicyclo[10.2.2]hexadeca-4,8-dien-16-ol
InChI:
InChI=1S/C20H34O2/c1-15-8-6-9-16(2)11-12-17-14-18(21)20(5,13-7-10-15)22-19(17,3)4/h9-10,17-18,21H,6-8,11-14H2,1-5H3/b15-10-,16-9-/t17-,18-,20+/m1/s1
InChI Key:
QJAIARJGTZFFBW-HHJIHTTCSA-N
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
2
Exact Mass:
306.256g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.49g/mol
Monoisotopic Mass:
306.256g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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