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(Q104982648)
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Triptohairic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-2-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
328.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
0 references
canonical SMILES
O=C(O)C1=C(C)C2CCC3=CC(=C(OC)C=C3C2(C)CC1)C(C)C
0 references
isomeric SMILES
COc1cc2c(cc1C(C)C)CC[C@H]1C(C)=C(C(=O)O)CC[C@]21C
0 references
found in taxon
Tripterygium wilfordii
2 references
stated in
Terpenoids in transformed root culture of Tripterygium wilfordii
stated in
Preparation and characterization of Tripterygium wilfordii multi-glycoside nanoparticle using supercritical anti-solvent process
Identifiers
InChI
InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
0 references
InChIKey
DJRFNRVSOMFEMZ-UWJYYQICSA-N
0 references
PubChem CID
100929735
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJRFNRVSOMFEMZ-UWJYYQICSA-N
ChEBI ID
132614
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1
UniChem compound ID
97119405
1 reference
stated in
UniChem
KNApSAcK ID
C00060826
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DJRFNRVSOMFEMZ-UWJYYQICSA-N
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