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(Q104994084)
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English
(4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4aS,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Amphiacric acid A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Marrubiagenin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3=CC(=O)OC3
0 references
isomeric SMILES
C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)OC1
0 references
found in taxon
Volkameria inermis
1 reference
stated in
4alpha-methyl-24beta-ethyl-5alpha-cholesta-14,25-dien-3beta-ol and 24beta-ethylcholesta-5, 9(11), 22E-trien-3beta-ol, sterols from Clerodendrum inerme
Identifiers
InChI
InChI=1S/C20H28O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20+/m0/s1
0 references
InChIKey
FEOFLRVZBOQGQA-DYLQCGAMSA-N
0 references
PubChem CID
162902801
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FEOFLRVZBOQGQA-DYLQCGAMSA-N
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