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(Q105167073)
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English
(1R,4R,7S,9R,10S,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-ol
1 reference
based on heuristic
inferred from SMILES
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,4R,7R,9R,10S,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
OCC1(CO)CC(O)CC2(C)C3CCC4C(=C)CC3(CCC12)C4
0 references
isomeric SMILES
C=C1C[C@]23CC[C@H]4C(CO)(CO)C[C@@H](O)C[C@]4(C)[C@H]2CC[C@H]1C3
0 references
found in taxon
Kumquat
1 reference
stated in
Bioactive Kaurane Diterpenes and Coumarins from Fortunella margarita.
Psiadia punctulata
1 reference
stated in
Diterpenes from Psiadia arabica
Citrus
1 reference
stated in
Bioactive Kaurane Diterpenes and Coumarins from Fortunella margarita.
Identifiers
InChI
InChI=1S/C20H32O3/c1-13-7-19-6-5-17-18(2,16(19)4-3-14(13)8-19)9-15(23)10-20(17,11-21)12-22/h14-17,21-23H,1,3-12H2,2H3/t14-,15-,16+,17+,18+,19-/m0/s1
0 references
InChIKey
MLSYHUFQDGSRNM-UIWVKPTASA-N
0 references
PubChem CID
11897962
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
17851157
1 reference
stated in
UniChem
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