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(Q105131002)
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English
methyl (2S,4aS,4bR,8aS,10aS)-6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1H-phenanthrene-2-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1C(O)=CC2C(C1=C)(C)CCC3CC(C(=O)OC)(C)CCC23C
0 references
isomeric SMILES
C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)OC)CC[C@@]12C
0 references
found in taxon
Dichapetalum gelonioides
1 reference
stated in
Cytotoxic constituents from the stem bark of Dichapetalum gelonioides collected in the Philippines
Identifiers
InChI
InChI=1S/C20H28O4/c1-12-16(22)14(21)10-15-19(12,3)7-6-13-11-18(2,17(23)24-5)8-9-20(13,15)4/h10,13,15,21H,1,6-9,11H2,2-5H3/t13-,15-,18-,19+,20-/m0/s1
0 references
InChIKey
JLPXJRMPBYHMNC-DYWRSEPTSA-N
0 references
PubChem CID
11522808
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JLPXJRMPBYHMNC-DYWRSEPTSA-N
UniChem compound ID
389406
1 reference
stated in
UniChem
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