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(Q105189341)
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Solidagoic acid D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7,8-dimethyl-4-(2-methylbut-2-enoyloxymethyl)-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
430.235538808
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₄O₆
0 references
canonical SMILES
O=C(OCC1=CCCC2C1(C(=O)O)CCC(C)C2(C)CCC3=CCOC3=O)C(=CC)C
0 references
isomeric SMILES
C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CCOC1=O
0 references
found in taxon
Solidago virgaurea
1 reference
stated in
Antibacterial clerodane diterpenes from Goldenrod (Solidago virgaurea).
Identifiers
InChI
InChI=1S/C25H34O6/c1-5-16(2)21(26)31-15-19-7-6-8-20-24(4,12-10-18-11-14-30-22(18)27)17(3)9-13-25(19,20)23(28)29/h5,7,11,17,20H,6,8-10,12-15H2,1-4H3,(H,28,29)/b16-5-/t17-,20+,24-,25-/m1/s1
0 references
InChIKey
OCFZXDSINAWITG-CVMQHBEBSA-N
0 references
PubChem CID
46177930
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OCFZXDSINAWITG-CVMQHBEBSA-N
UniChem compound ID
33896502
1 reference
stated in
UniChem
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