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(Q105282786)
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English
Kaurane-16alpha,17,19-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5,14-Bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
1 reference
based on heuristic
inferred from SMILES
mass
322.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4S,5R,9S,10R,13R,14R)-5,14-bis(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
OCC1(O)CC23CCC4C(C)(CO)CCCC4(C)C3CCC1C2
0 references
isomeric SMILES
C[C@]1(CO)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3
0 references
found in taxon
Smallanthus sonchifolius
1 reference
stated in
A new hexenol glycoside from leaves of Smallanthus sonchifolius
Identifiers
InChI
InChI=1S/C20H34O3/c1-17(12-21)7-3-8-18(2)15(17)6-9-19-10-14(4-5-16(18)19)20(23,11-19)13-22/h14-16,21-23H,3-13H2,1-2H3/t14-,15-,16+,17-,18-,19+,20+/m1/s1
0 references
InChIKey
VAKACABDOYKFHJ-JLPZLSSXSA-N
0 references
PubChem CID
101625119
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VAKACABDOYKFHJ-JLPZLSSXSA-N
UniChem compound ID
97518497
1 reference
stated in
UniChem
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