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(Q105141087)
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Labdanolic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
324.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S)-5-[(1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
1 reference
based on heuristic
inferred from InChIKey
(4aalpha)-2-Hydroxy-2beta,5,5,8abeta-tetramethyldecalin-1beta-((R)-3-methylvaleric acid)
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₆O₃
0 references
canonical SMILES
O=C(O)CC(C)CCC1C(O)(C)CCC2C(C)(C)CCCC12C
0 references
isomeric SMILES
C[C@@H](CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)CC(=O)O
0 references
found in taxon
Cistus ladanifer
1 reference
stated in
820. The chemistry of gum labdanum. Part II. The structure of labdanolic acid
Copaifera cearensis
1 reference
stated in
Separation of acid diterpenes of Copaifera cearensis huber ex ducke by flash chromatography using potassium hydroxide impregnated silica gel
Haplopappus schumannii
1 reference
stated in
Diterpenoids in the trichome resinous exudate from Haplopappus shumannii
Senegalia pennata
1 reference
stated in
Terpenoids and a flavonoid glycoside from Acacia pennata leaves as hedgehog/GLI-mediated transcriptional inhibitors.
Copaifera duckei
1 reference
stated in
Separation of acid diterpenes of Copaifera cearensis huber ex ducke by flash chromatography using potassium hydroxide impregnated silica gel
Cistus creticus
1 reference
stated in
820. The chemistry of gum labdanum. Part II. The structure of labdanolic acid
Identifiers
InChI
InChI=1S/C20H36O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14-,15-,16+,19-,20+/m0/s1
0 references
InChIKey
KHCCSRVJJDOANA-RQOBALISSA-N
0 references
PubChem CID
11186394
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
167826
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H36O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14-,15-,16+,19-,20+/m0/s1
UniChem compound ID
238042
1 reference
stated in
UniChem
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