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(Q105142708)
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English
2,7-dihydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-octahydro-1H-naphthalen-1-yl 3-methylpent-2-enoate
group of stereoisomers with the chemical formula C₂₁H₃₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
eremophilane sesquiterpenoid
1 reference
inferred from
eremophilane sesquiterpenoid
mass
350.2457095679999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₄
0 references
canonical SMILES
O=C(OC1C(O)C(C(=C)C)CC2(C)C(C)CC(O)CC12)C=C(C)CC
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Identifiers
InChI
InChI=1S/C21H34O4/c1-7-13(4)8-18(23)25-20-17-10-15(22)9-14(5)21(17,6)11-16(12(2)3)19(20)24/h8,14-17,19-20,22,24H,2,7,9-11H2,1,3-6H3
0 references
InChIKey
KLNGKMLEONBTFG-UHFFFAOYSA-N
0 references
PubChem CID
327382
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KLNGKMLEONBTFG-UHFFFAOYSA-N
UniChem compound ID
62681196
1 reference
stated in
UniChem
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