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200272-61-3 | 2(3H)-Furanone, dihydro-5-methyl-5-(4,8,12-trimethyltridecyl)-
CAS No: 200272-61-3 Catalog No: AG002CN3 MDL No:
Product Description
Catalog Number:
AG002CN3
Chemical Name:
2(3H)-Furanone, dihydro-5-methyl-5-(4,8,12-trimethyltridecyl)-
CAS Number:
200272-61-3
Molecular Formula:
C21H40O2
Molecular Weight:
324.5411
IUPAC Name:
5-methyl-5-(4,8,12-trimethyltridecyl)oxolan-2-one
InChI:
InChI=1S/C21H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-15-21(5)16-14-20(22)23-21/h17-19H,6-16H2,1-5H3
InChI Key:
LGWNRNDWDZHUNP-UHFFFAOYSA-N
SMILES:
CC(CCCC1(C)CCC(=O)O1)CCCC(CCCC(C)C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.303g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.549g/mol
Monoisotopic Mass:
324.303g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Literature
| Title | Journal |
|---|---|
| Diterpene derivative and chromone from Hypericum perforatum. | Natural product research 20040201 |
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