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(Q105348101)
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English
(E)-5-[(1R,4aS,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
labdanes
0 references
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
19-Hydroxylabda-8(20),13-diene-15-oic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1R,4aS,5S,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(E)-5-[(1S,4aS,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C(O)C=C(C)CCC1C(=C)CCC2C(C)(CO)CCCC12C
0 references
isomeric SMILES
C=C1CC[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C(=O)O
0 references
found in taxon
Haplopappus deserticola
1 reference
stated in
Diterpenes and umbelliferone derivatives from Haplopappus deserticola
Identifiers
InChI
InChI=1S/C20H32O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12,16-17,21H,2,5-11,13H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17-,19-,20-/m1/s1
0 references
InChIKey
YGILXMANNHJYJZ-ZTHXKWFLSA-N
0 references
PubChem CID
162968362
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YGILXMANNHJYJZ-ZTHXKWFLSA-N
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