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(Q105223112)
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English
[4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
group of stereoisomers with the chemical formula C₂₂H₃₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
362.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₄O₄
0 references
canonical SMILES
O=C(OC1CC(C)C(O)(CCC2=COC=C2)C3(C)CCCC(C)(C)C13)C
0 references
found in taxon
Vitex trifolia
4 references
stated in
Diterpenoids from the fruits of Vitex trifolia
stated in
Rotundifuran, a labdane type diterpene from Vitex rotundifolia, induces apoptosis in human myeloid leukaemia cells
stated in
Diterpenoids and flavonoids from the fruits of Vitex agnus-castus and antioxidant activity of the fruit extracts and their constituents.
stated in
Compounds from the Fruits of the Popular European Medicinal Plant Vitex agnus-castus in Chemoprevention via NADP(H):Quinone Oxidoreductase Type 1 Induction
Identifiers
InChI
InChI=1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3
0 references
InChIKey
QKHCQFQIJKXMOE-UHFFFAOYSA-N
0 references
PubChem CID
18008144
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
55916397
1 reference
stated in
UniChem
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