(S)-4,4,7A-Trimethyl-5,6,7,7A-tetrahydrobenzofuran-2(4H)-one - CAS 81800-41-1
Catalog: |
BB057009 |
Product Name: |
(S)-4,4,7A-Trimethyl-5,6,7,7A-tetrahydrobenzofuran-2(4H)-one |
CAS: |
81800-41-1 |
Synonyms: |
(+)-Dihydroactinidiolide; (7As)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
IUPAC Name: | (7aS)-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one |
Description: | (S)-4,4,7A-TRIMETHYL-5,6,7,7A-TETRAHYDROBENZOFURAN-2(4H)-ONE (cas# 15356-74-8) is a useful research chemical. |
Molecular Weight: | 180.24 |
Molecular Formula: | C11H16O2 |
Canonical SMILES: | CC1(CCCC2(C1=CC(=O)O2)C)C |
InChI: | InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m0/s1 |
InChI Key: | IMKHDCBNRDRUEB-NSHDSACASA-N |
Density: | 1.051-1.058 |
Solubility: | Insoluble in water; soluble in nonpolar solvents; soluble (in ethanol) |
Appearance: | Colourless liquid |
Refractive Index: | 1.499-1.505 |
GHS Hazard Statement: | H300 (99.28%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
PMID | Publication Date | Title | Journal |
34371027 | 20210901 | Mitigation of oxidative stress with dihydroactinidiolide, a natural product against scopolamine-induced amnesia in Swiss albino mice | Neurotoxicology |
33617922 | 20210501 | Dihydroactinidiolide regulates Nrf2/HO-1 expression and inhibits caspase-3/Bax pathway to protect SH-SY5Y human neuroblastoma cells from oxidative stress induced neuronal apoptosis | Neurotoxicology |
19514730 | 20090708 | Online gas chromatography combustion/pyrolysis-isotope ratio mass spectrometry (HRGC-C/P-IRMS) of (+/-)-Dihydroactinidiolide from tea ( Camellia sinensis ) and rooibos tea ( Aspalathus linearis ) | Journal of agricultural and food chemistry |
12670150 | 20030409 | Germination response in wheat grains to dihydroactinidiolide, a germination inhibitor in wheat husks, and related compounds | Journal of agricultural and food chemistry |
12381108 | 20021023 | Germination and growth inhibitors from wheat (Triticum aestivum L.) husks | Journal of agricultural and food chemistry |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.115029749 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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