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(Q105210181)
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English
Neocrotocembraneic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)C1=CCCC(=CCCC(=CC=C(CC1)C(C)C)C)C
0 references
isomeric SMILES
C/C1=C\C=C(\C(C)C)CC/C(C(=O)O)=C\CC/C(C)=C/CC1
1 reference
based on heuristic
inferred from InChI
found in taxon
Croton oblongifolius
3 references
stated in
Labdane diterpenoids from Croton oblongifolius
stated in
Two new cembranoids from croton oblongifolius
stated in
Cytotoxic labdane diterpenoids from Croton oblongifolius
Identifiers
InChI
InChI=1S/C20H30O2/c1-15(2)18-12-11-17(4)8-5-7-16(3)9-6-10-19(14-13-18)20(21)22/h7,10-12,15H,5-6,8-9,13-14H2,1-4H3,(H,21,22)/b16-7+,17-11+,18-12+,19-10+
0 references
InChIKey
PJVZQWKLUCVIQA-UTPOLXMRSA-N
0 references
PubChem CID
5471236
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PJVZQWKLUCVIQA-UTPOLXMRSA-N
UniChem compound ID
295063
1 reference
stated in
UniChem
KNApSAcK ID
C00037544
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PJVZQWKLUCVIQA-UTPOLXMRSA-N
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