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(Q104666946)
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Diavaltrate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[6-acetyloxy-4-(acetyloxymethyl)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
380.147117728
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,6S,7R,7aR)-6-acetyloxy-4-(acetyloxymethyl)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 3-methylbutanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₈
0 references
canonical SMILES
O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)C)C32OC3)C
0 references
isomeric SMILES
CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(C)=O)[C@]21CO1
0 references
found in taxon
Valeriana capensis
1 reference
stated in
Isolation of Antifungal Valepotriates fromValeriana capenseand the Search for Valepotriates in Crude Valerianaceae Extracts
Valeriana glechomifolia
1 reference
stated in
Constituents of Valeriana glechomifolia Meyer
Valeriana microphylla
1 reference
stated in
Valtrates and Lignans in Valeriana microphylla
Valeriana officinalis
1 reference
stated in
The biological activity of Valerian and related plants
Identifiers
InChI
InChI=1S/C19H24O8/c1-10(2)5-16(22)27-18-17-14(13(8-24-18)7-23-11(3)20)6-15(26-12(4)21)19(17)9-25-19/h6,8,10,15,17-18H,5,7,9H2,1-4H3/t15-,17+,18-,19+/m0/s1
0 references
InChIKey
OZYPVATWXAXGPT-WZGPROSRSA-N
0 references
PubChem CID
101656903
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OZYPVATWXAXGPT-WZGPROSRSA-N
UniChem compound ID
97896469
1 reference
stated in
UniChem
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