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(Q105112737)
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English
(1R,4R,9R,10S,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one
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-one
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Psiadin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C1CC(CO)(CO)C2CCC34CC(=C)C(CCC3C2(C)C1)C4
0 references
isomeric SMILES
C=C1C[C@]23CC[C@H]4C(CO)(CO)CC(=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/C20H30O3/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/h14,16-17,21-22H,1,3-12H2,2H3/t14-,16+,17+,18+,19-/m0/s1
0 references
InChIKey
IGOMNRZBTQVLBU-IJCBKZNRSA-N
0 references
PubChem CID
163034477
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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