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5989-02-6 | 2(4H)-Benzofuranone,5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S,7aR)-
CAS No: 5989-02-6 Catalog No: AG003978 MDL No:
Product Description
Catalog Number:
AG003978
Chemical Name:
2(4H)-Benzofuranone,5,6,7,7a-tetrahydro-6-hydroxy-4,4,7a-trimethyl-, (6S,7aR)-
CAS Number:
5989-02-6
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
InChI:
InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
InChI Key:
XEVQXKKKAVVSMW-WRWORJQWSA-N
SMILES:
O[C@@H]1C[C@@]2(C)OC(=O)C=C2C(C1)(C)C
UNII:
U3BB4IM281
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Minor labdane diterpenes from Marrubium thessalum. | Chemistry & biodiversity 20111001 |
| Eudesmanolides from Taraxacum mongolicum and their inhibitory effects on the production of nitric oxide. | Archives of pharmacal research 20110101 |
| Bioactive polyketides from Peperomia duclouxii. | Journal of natural products 20070601 |
| [Chemical constituents from red alga Corallina pilulifera]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20061101 |
| [Studies on the chemical constituents in herbs of ethanolic extract from herbs of Dicliptera chinensis]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060601 |
| Antimicrobial terpenoids from Pterocarpus indicus. | Natural product research 20050601 |
| Aromatase inhibitors from Broussonetia papyrifera. | Journal of natural products 20011001 |
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