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Triptonoterpenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
1 reference
based on heuristic
inferred from SMILES
mass
346.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Triptonodiol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₄
0 references
canonical SMILES
O=C1CCC2(C3=C(O)C=C(C(OC)=C3CCC2C1(C)CO)C(C)C)C
0 references
isomeric SMILES
CC(C)C1=CC(=C2C(=C1OC)CC[C@H]3[C@]2(CCC(=O)[C@@]3(C)CO)C)O
0 references
found in taxon
Tripterygium wilfordii
4 references
stated in
CHEMICAL CONSTITUENTS
stated in
Terpenoids from Tripterygium wilfordii.
stated in
Characterization of eight terpenoids from tissue cultures of the Chinese herbal plant, Tripterygium wilfordii, by high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry
stated in
Terpenoids from Tripterygium wilfordii
Identifiers
InChI
InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
0 references
InChIKey
XGRBHDJWRPUKMD-DQLDELGASA-N
0 references
CAS Registry Number
110187-23-0
1 reference
InChIKey
XGRBHDJWRPUKMD-DQLDELGASA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=110187-23-0
PubChem CID
159330
1 reference
matched by identifier from
InChIKey
InChIKey
XGRBHDJWRPUKMD-DQLDELGASA-N
ChEBI ID
132613
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
UniChem compound ID
61927130
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30911519
1 reference
matched by identifier from
InChIKey
InChIKey
XGRBHDJWRPUKMD-DQLDELGASA-N
DSSTOX compound identifier
DTXCID201340554
0 references
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