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(Q105134002)
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English
(5alpha,9alpha,10beta)-Kaurane-3beta,16,17-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-6,14-diol
1 reference
based on heuristic
inferred from SMILES
mass
322.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4R,6R,9S,10S,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol
1 reference
based on heuristic
inferred from InChI
(1S,4S,6R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,14-diol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
OCC1(O)CC23CCC4C(C)(C)C(O)CCC4(C)C3CCC1C2
0 references
isomeric SMILES
CC1(C)[C@@H](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/C20H34O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19+,20+/m1/s1
0 references
InChIKey
JRMZVZSBORMZSD-IZVMADOGSA-N
0 references
PubChem CID
101244150
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JRMZVZSBORMZSD-IZVMADOGSA-N
UniChem compound ID
97801748
1 reference
stated in
UniChem
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