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113393-70-7 | 2,6,10-Dodecatriene-1,5,8,12-tetrol, 2,6,10-trimethyl-, 1,5,8,12-tetraacetate
CAS No: 113393-70-7 Catalog No: AG0008EF MDL No:
Product Description
Catalog Number:
AG0008EF
Chemical Name:
2,6,10-Dodecatriene-1,5,8,12-tetrol, 2,6,10-trimethyl-, 1,5,8,12-tetraacetate
CAS Number:
113393-70-7
Molecular Formula:
C23H34O8
Molecular Weight:
438.5113
IUPAC Name:
acetic acid;2,6,10-trimethyldodeca-2,6,10-triene-1,5,8,12-tetrol
InChI:
InChI=1S/C15H26O4.4C2H4O2/c1-11(6-7-16)8-14(18)9-13(3)15(19)5-4-12(2)10-17;4*1-2(3)4/h4,6,9,14-19H,5,7-8,10H2,1-3H3;4*1H3,(H,3,4)
InChI Key:
KRDRDXBSZNBXJW-UHFFFAOYSA-N
SMILES:
CC(=CCOC(=O)C)CC(C=C(C(OC(=O)C)CC=C(COC(=O)C)C)C)OC(=O)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.268g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
510.577g/mol
Monoisotopic Mass:
510.268g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
3
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