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(Q105348571)
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English
Lancerodiol P-Methoxybenzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
daucane sesquiterpenoid
0 references
mass
386.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3R,3aS,4R,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₀O₅
0 references
canonical SMILES
O=C(OC1C=C(C(=O)CC2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(OC)C=C3
0 references
isomeric SMILES
COc1ccc(C(=O)O[C@H]2C=C(C)C(=O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1
0 references
found in taxon
Ferula vesceritensis
1 reference
stated in
Phytochemical investigation and antimicrobial activity of crude extract of the roots of Ferula vesceritensis
Identifiers
InChI
InChI=1S/C23H30O5/c1-14(2)23(26)11-10-22(4)13-18(24)15(3)12-19(20(22)23)28-21(25)16-6-8-17(27-5)9-7-16/h6-9,12,14,19-20,26H,10-11,13H2,1-5H3/t19-,20+,22+,23+/m0/s1
0 references
InChIKey
YHRPDPXNYVRMMK-KKSHJYNMSA-N
0 references
PubChem CID
56662345
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YHRPDPXNYVRMMK-KKSHJYNMSA-N
UniChem compound ID
1170565
1 reference
stated in
UniChem
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