didrovaltrate
dihydroisovalepotriate
Identification
| Name | didrovaltrate |
| IUPAC | [(1S,4aS,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate |
| CAS Number | 18296-45-2 |
| EINECS | 242-175-8 |
| FDA UNII | KEN63D125F |
| Molecular Formula | C22 H32 O8 |
| Molecular Weight | 424.49064000 |
| Nikkaji Number | J55.702A |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Soluble in | water, 6.952 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for didrovaltrate usage levels up to | not for fragrance use. |
| Recommendation for didrovaltrate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
[(1S,4aS,6S,7R,7aS)-6-
acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
dihydroisovalepotriate
dihydroisovaltrate
dihydroisovaltratum
1,4a,5,7a-
tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2'-oxirane)-4-methanol 6-acetate 1,4-diisovalerate
iso
valeric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro(benzofuran-2(3H),2'-oxirane)-3,4-diol, 6-acetate (8CI)
(7S)-6alpha-Acetoxy-1-alpha-iso
valeryloxy-4-isovaleryloxymethyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta(c)pyran-7-spiro-2'-oxiran
PubMed:
[Mass spectrum characterization of five valepotriates by electrospray ionization tandem mass spectrometry].
PubMed:
Effect of didrovaltrate on I-calcium current in rabbit ventricular myocytes.
PubMed:
Concise synthesis of 5,6-dihydrovaltrate leading to enhanced Rev-export inhibitory congener.
PubMed:
Preserved pharmacological activity of hepatocytes-treated extracts of valerian and St. John's wort.
PubMed:
Control of development and valepotriate production by auxins in micropropagated Valeriana glechomifolia.
PubMed:
[Interspecific and intraspecific comparison of valepotrates contents in three Valeriana plants].
PubMed:
Quantitative determination of valepotriates from Valeriana native to South Brazil.
PubMed:
Cytotoxic potential of valerian constituents and valerian tinctures.
PubMed:
Production of valepotriates by hairy root cultures of Centranthus ruber DC.
PubMed:
Effect of valepotriates on the behavior of rats in the elevated plus-maze during diazepam withdrawal.
PubMed:
High-yield production of valepotriates by hairy root cultures of Valeriana officnalis L. var. sambucifolia Mikan.
PubMed:
Valerian-derived sedative agents. I. On the structure and spectral assignment of the constituents of valmane using the selective INEPT nuclear magnetic resonance technique.
PubMed:
Effects of thiol compounds versus the cytotoxicity of valepotriates on cultured hepatoma cells.
PubMed:
The Structure of New Valepotriates from Tissue Cultures of Valeriana wallichii.
PubMed:
[The synthesis of valperinol and various 3-aminomethyl derivatives of 2,9-dioxatricyclo[4,3,1,0(3,7)]decane from didrovaltrate].
PubMed:
Valepotriate content in different in vitro cultures of Valerianaceae and characterization of Valeriana officinalis L. callus during a growth period.
PubMed:
Antispasmodic effects of valeriana compounds: an in-vivo and in-vitro study on the guinea-pig ileum.
PubMed:
HPCL Separation and quantitative determination of valepotriates from Valeriana kilimandascharica.
PubMed:
[In vitro- and vivo-metabolism of 14C-didrovaltrate (author's transl)].