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(Q105170551)
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English
Pinyunin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-isopropyl-1,4a-dimethyl-6-oxo-3,4,4b,5,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
316.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₃
0 references
canonical SMILES
O=C(O)C1(C)CCCC2(C)C3C(C=C(C(=O)C3)C(C)C)=CCC12
0 references
isomeric SMILES
CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1=O
0 references
found in taxon
Pinus sylvestris
1 reference
stated in
Abietic and dehydroabietic acid derivatives from needle-free shoots of shoots ofPinus sylvestris
Identifiers
InChI
InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h6,10,12,15,17H,5,7-9,11H2,1-4H3,(H,22,23)/t15-,17+,19+,20+/m0/s1
0 references
InChIKey
MRGKHDWUXCFJLK-JQERWDHBSA-N
0 references
PubChem CID
52325861
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRGKHDWUXCFJLK-JQERWDHBSA-N
UniChem compound ID
53923945
1 reference
stated in
UniChem
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