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(Q105022499)
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(3E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)but-3-en-2-one
1 reference
based on heuristic
inferred from SMILES
mass
260.214015516
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-4-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3E)-4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₈O
0 references
canonical SMILES
O=C(C=CC1C(=C)CCC2C(C)(C)CCCC12C)C
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(C)=O
0 references
found in taxon
Curcuma heyneana
1 reference
stated in
Sesquiterpenes from the rhizomes of Curcuma heyneana
Alpinia formosana
1 reference
stated in
Diterpenes from the rhizomes of Alpinia formosana
Alpinia zerumbet
2 references
stated in
Labdane and bisnorlabdane type diterpenes from Alpinia speciosa K. Schum.
stated in
Labdane diterpenes from Alpinia zerumbet
Curcuma mangga
1 reference
stated in
Phytochemical and cytotoxic investigations of Curcuma mangga rhizomes.
Identifiers
InChI
InChI=1S/C18H28O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h8-9,15-16H,1,6-7,10-12H2,2-5H3/b9-8+/t15-,16-,18+/m0/s1
0 references
InChIKey
GWLGWWOKIBLQJF-YGUYEABBSA-N
0 references
PubChem CID
13994560
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GWLGWWOKIBLQJF-YGUYEABBSA-N
UniChem compound ID
33153985
1 reference
stated in
UniChem
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