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(Q105156901)
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English
(2S)-3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-hydroxy-3-[2-(4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethenyl]-2H-furan-5-one
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-3-[(E)-2-[(1S,4R,4aS,8aR)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OC(O)C(C=CC2C(=C)CC(O)C3C(C)(C)CCCC23C)=C1
0 references
isomeric SMILES
C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O
0 references
found in taxon
Hedychium forrestii
1 reference
stated in
Cytotoxicity of labdane-type diterpenoids from Hedychium forrestii
Identifiers
InChI
InChI=1S/C20H28O4/c1-12-10-15(21)17-19(2,3)8-5-9-20(17,4)14(12)7-6-13-11-16(22)24-18(13)23/h6-7,11,14-15,17-18,21,23H,1,5,8-10H2,2-4H3/b7-6+/t14-,15+,17-,18-,20+/m0/s1
0 references
InChIKey
LTDSIMVYGJFVGS-WGZYIEHUSA-N
0 references
PubChem CID
162971965
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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