PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Didrovaltrate
PCNDIDD0113
Pubchem CID : 65689
Molecular formula: C22H32O8

Molecular weight : 424.500

Canonical SMILES : CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C

Synonymes : Didrovaltrate|Didrovaltratum|18296-45-2|Dihydroisovaltrate|Isovaltrate, dihydro-|Dihydroisovaltratum|Isovalepotriate, dihydro-|Dihydroisovalepotriate|Didrovaltrat|Didrovaltrato|Dihydrovaltrate|Didrovaltrate [INN]|Isovaltrate, 4a,5-dihydro-|Didrovaltrat [German]|CCRIS 2662|Didrovaltratum [INN-Latin]|EINECS 242-175-8|UNII-KEN63D125F|Didrovaltrato [INN-Spanish]|NSC 335756|NSC-335756|BRN 6010565|KEN63D125F|CHEBI:4517|DTXSID80171363|(7S)-6alpha-Acetoxy-1-alpha-isovaleryloxy-4-isovaleryloxymethyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta(c)pyran-7-spiro-2'-oxiran|1,4a,5,7a-Tetrahydro-1,6-dihydroxyspiro(cyclopenta(c)pyran-7(6H),2'-oxirane)-4-methanol 6-acetate 1,4-diisovalerate|Butanoic acid, 3-methyl-, (1S,4aS,6S,2'R,7aS)-6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester|Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester, (1S-(1-alpha,4a-alpha,6-alpha,7-beta,7a-alpha))-|Isovaleric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro(benzofuran-2(3H),2'-oxirane)-3,4-diol, 6-acetate|DIDROVALTRATE (MART.)|DIDROVALTRATE [MART.]|BUTANOIC ACID, 3-METHYL-, (1S,2'R,4AS,6S,7AS)-6-(ACETYLOXY)-4A,5,6,7A-TETRAHYDRO-4-((3-METHYL-1-OXOBUTOXY)METHYL)SPIRO(CYCLOPENTA(C)PYRAN-7(1H),2'-OXIRAN)-1-YL ESTER|[(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|Isovaltrate,5-dihydro-|SCHEMBL424675|CHEMBL550227|DTXCID9093854|Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl ester, [1S-(1.alpha.,4a.alpha.,6.alpha.,7.beta.,7a.alpha.)]-|HY-N3741|Isovaleric acid, 3,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro[benzofuran-2(3H),2'-oxirane-3,4-diol, 6-acetate|NSC335756|AKOS040761620|LMPR0102070008|LS-46350|XD178328|CS-0024137|C09776|Q27106405|1,5,7a-Tetrahydro-1,6-dihydroxyspiro[cyclopenta[c]pyran-7(6H),2'-oxirane]-4-methanol 6-acetate 1,4-diisovalerate|Butanoic acid, 3-methyl-, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-((3-methyl-1-oxobutoxy)methyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxiran)-1-yl ester, (1S-(1alpha,4aalpha,6alpha,7beta,7aalpha))-|Butanoic acid, 6-(acetyloxy)-4a,5,6,7a-tetrahydro-4-[(3-methyl-1-oxobutoxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl ester, [1S-(1.alpha.,4a.alpha.,6.alpha.,7.beta.,7a.alpha.)]-|Isovaleric acid,4-diester with 3a,4,5,6-tetrahydro-6-(hydroxymethyl)spiro[benzofuran-2(3H),2'-oxirane-3,4-diol, 6-acetate

Structure
3D structure 2D structure
65689
Predicted properties (NCBI Pubchem)

Physicochemical Properties