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(Q105300084)
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English
(5alpha,9alpha,10beta,16R)-16,17,18-Trihydroxykaurane-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14-Hydroxy-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C1CCC2(C)C(CCC34CC(CCC32)C(O)(CO)C4)C1(C)CO
0 references
isomeric SMILES
C[C@@]1(CO)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO
0 references
found in taxon
Callicarpa furfuracea
1 reference
stated in
Lignanoids and Diterpenoids fromCallicarpa furfuraceae
Identifiers
InChI
InChI=1S/C20H32O4/c1-17-7-6-16(23)18(2,11-21)14(17)5-8-19-9-13(3-4-15(17)19)20(24,10-19)12-22/h13-15,21-22,24H,3-12H2,1-2H3/t13-,14-,15-,17+,18+,19+,20+/m1/s1
0 references
InChIKey
WAAHRCXULJPVOJ-KLEXHFHZSA-N
0 references
PubChem CID
101394717
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WAAHRCXULJPVOJ-KLEXHFHZSA-N
UniChem compound ID
100902943
1 reference
stated in
UniChem
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