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(Q104399066)
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English
Chettaphanin I
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-[2-(furan-3-yl)-2-oxoethyl]-8a-hydroxy-1,5,6-trimethyl-3-oxo-2,6,7,8-tetrahydronaphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
374.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S)-1,5alpha,6alpha-Trimethyl-3-oxo-5-[2-(3-furyl)-2-oxoethyl]-8aalpha-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalene-1beta-carboxylic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₆
0 references
canonical SMILES
O=C(OC)C1(C)CC(=O)C=C2C1(O)CCC(C)C2(C)CC(=O)C3=COC=C3
0 references
isomeric SMILES
COC(=O)[C@@]1(C)CC(=O)C=C2[C@@](C)(CC(=O)c3ccoc3)[C@H](C)CC[C@@]21O
0 references
found in taxon
Cladogynos orientalis
2 references
stated in
ent-Halimane Diterpenes and a Guaiane Sesquiterpene from Cladogynos orientalis
stated in
ent-halimane diterpenes and a guaiane sesquiterpene from Cladogynos orientalis
Croton crassifolius
1 reference
stated in
Chemical constituents from Croton crassifolius Geisel
Identifiers
InChI
InChI=1S/C21H26O6/c1-13-5-7-21(25)17(9-15(22)10-20(21,3)18(24)26-4)19(13,2)11-16(23)14-6-8-27-12-14/h6,8-9,12-13,25H,5,7,10-11H2,1-4H3/t13-,19+,20-,21-/m1/s1
0 references
InChIKey
HMVKEMUTFLFBSI-JTMTTYTKSA-N
0 references
PubChem CID
102022433
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HMVKEMUTFLFBSI-JTMTTYTKSA-N
UniChem compound ID
96536260
1 reference
stated in
UniChem
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