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(Q105144854)
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English
methyl (2S,4aS,10aS)-8-hydroxy-4a-methyl-1-methylidene-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
328.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
0 references
canonical SMILES
O=C(OC)C1C(=C)C2CCC3=C(O)C(=CC=C3C2(C)CC1)C(C)C
0 references
isomeric SMILES
C=C1[C@@H](C(=O)OC)CC[C@]2(C)c3ccc(C(C)C)c(O)c3CC[C@@H]12
0 references
found in taxon
Tripterygium wilfordii
2 references
stated in
Two new terpenes from Tripterygium wilfordii
stated in
The genus Tripterygium: A phytochemistry and pharmacological review
Identifiers
InChI
InChI=1S/C21H28O3/c1-12(2)14-6-9-18-16(19(14)22)7-8-17-13(3)15(20(23)24-5)10-11-21(17,18)4/h6,9,12,15,17,22H,3,7-8,10-11H2,1-2,4-5H3/t15-,17-,21-/m0/s1
0 references
InChIKey
KQXBCLPCINRICY-WJPUGNRLSA-N
0 references
PubChem CID
162936116
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KQXBCLPCINRICY-WJPUGNRLSA-N
KNApSAcK ID
C00056250
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KQXBCLPCINRICY-WJPUGNRLSA-N
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