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(Q110076717)
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English
(1S,4S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
256.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4S,4aS,6S,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₈O₃
0 references
canonical SMILES
OC1CCC(O)(C)C2CC(CCC12C)C(O)(C)C
0 references
isomeric SMILES
CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@](C)(O)[C@H]2C1
0 references
found in taxon
Tripterygium regelii
1 reference
stated in
The genus Tripterygium: A phytochemistry and pharmacological review
Tripterygium wilfordii
1 reference
stated in
The genus Tripterygium: A phytochemistry and pharmacological review
Identifiers
InChI
InChI=1S/C15H28O3/c1-13(2,17)10-5-7-14(3)11(9-10)15(4,18)8-6-12(14)16/h10-12,16-18H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m1/s1
0 references
InChIKey
ODDNJYHUVXKJBI-SQLGEJSKSA-N
0 references
PubChem CID
162999260
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ODDNJYHUVXKJBI-SQLGEJSKSA-N
DSSTox substance ID
DTXSID401349564
1 reference
matched by identifier from
InChIKey
InChIKey
ODDNJYHUVXKJBI-SQLGEJSKSA-N
KNApSAcK ID
C00056092
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ODDNJYHUVXKJBI-SQLGEJSKSA-N
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