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(Q110179335)
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English
3-[[(1R,4aR,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]oxy]-3-oxopropanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
360.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C(O)CC(=O)OC1(C)CCCC2(C3=C(CCC12)CC(C=C)(C)CC3)C
0 references
isomeric SMILES
C=C[C@]1(C)CCC2=C(CC[C@@H]3[C@](C)(OC(=O)CC(=O)O)CCC[C@@]23C)C1
0 references
found in taxon
Calceolaria pinifolia
1 reference
stated in
Antibacterial diterpenes from Calceolaria pinifolia
Identifiers
InChI
InChI=1S/C22H32O4/c1-5-20(2)12-9-16-15(14-20)7-8-17-21(16,3)10-6-11-22(17,4)26-19(25)13-18(23)24/h5,17H,1,6-14H2,2-4H3,(H,23,24)/t17-,20+,21-,22+/m0/s1
0 references
InChIKey
NKRZOAWZBYVTMB-KVJIRVJXSA-N
0 references
PubChem CID
44566221
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
384081
1 reference
stated in
UniChem
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