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(Q104981986)
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English
(1R,5R,7R,8S,12S)-7,12-dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7,12-Dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
1 reference
based on heuristic
inferred from SMILES
mass
282.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,5R,7S,8R,12R)-7,12-dihydroxy-1,5-dimethyl-8-propan-2-yl-9,10-dioxatricyclo[6.2.2.02,6]dodec-2(6)-en-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Nardoguaianone D
1 reference
based on heuristic
inferred from InChI
Nardoguaianone C
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₅
0 references
canonical SMILES
O=C1C2=C(C(O)C3(OOC2(C)CC3O)C(C)C)C(C)C1
0 references
isomeric SMILES
CC(C)[C@]12OO[C@](C)(C[C@@H]1O)C1=C([C@H](C)CC1=O)[C@H]2O
0 references
found in taxon
Nardostachys jatamansi
1 reference
stated in
Novel Guaiane Endoperoxides, Nardoguaianone A–D, from Nardostachys chinensis Roots and their Antinociceptive and Antimalarial Activities
Stachys chinensis
1 reference
stated in
Novel Guaiane Endoperoxides, Nardoguaianone A–D, from Nardostachys chinensis Roots and their Antinociceptive and Antimalarial Activities
Valeriana jatamansi
1 reference
stated in
Novel Guaiane Endoperoxides, Nardoguaianone A–D, from Nardostachys chinensis Roots and their Antinociceptive and Antimalarial Activities
Identifiers
InChI
InChI=1S/C15H22O5/c1-7(2)15-10(17)6-14(4,19-20-15)12-9(16)5-8(3)11(12)13(15)18/h7-8,10,13,17-18H,5-6H2,1-4H3/t8-,10+,13-,14-,15+/m1/s1
0 references
InChIKey
DJCYVGGVILUPNY-MTVVJKOXSA-N
0 references
PubChem CID
10684294
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJCYVGGVILUPNY-MTVVJKOXSA-N
UniChem compound ID
33767603
1 reference
stated in
UniChem
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