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(Q105312418)
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English
5-[5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
group of stereoisomers with the chemical formula C₂₁H₃₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
350.2457095679999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₄
0 references
canonical SMILES
O=C(O)CC(C)CCC1C(=C)CCC2C(C(=O)OC)(C)CCCC12C
0 references
Identifiers
InChI
InChI=1S/C21H34O4/c1-14(13-18(22)23)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(24)25-5/h14,16-17H,2,6-13H2,1,3-5H3,(H,22,23)
0 references
InChIKey
WTDIRAZPDUAJEB-UHFFFAOYSA-N
0 references
PubChem CID
13250758
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WTDIRAZPDUAJEB-UHFFFAOYSA-N
ChEBI ID
181038
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H34O4/c1-14(13-18(22)23)7-9-16-15(2)8-10-17-20(16,3)11-6-12-21(17,4)19(24)25-5/h14,16-17H,2,6-13H2,1,3-5H3,(H,22,23)
UniChem compound ID
23293022
1 reference
stated in
UniChem
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