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(Q104992161)
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English
Hierapolitanin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
elemane sesquiterpenoid
0 references
mass
392.147117728
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₈
0 references
canonical SMILES
O=C(OC1CC(C=C)(CO)C(C(=C)COC(=O)C)C2OC(=O)C(=C)C12)C(O)=C
0 references
isomeric SMILES
C=C[C@]1(CO)C[C@H](OC(=O)C(=C)O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O
0 references
found in taxon
Centaurea hierapolitana
1 reference
stated in
Elemanolide sesquiterpenes and eudesmane sesquiterpene glycosides from Centaurea hierapolitana
Identifiers
InChI
InChI=1S/C20H24O8/c1-6-20(9-21)7-14(27-19(25)12(4)22)15-11(3)18(24)28-17(15)16(20)10(2)8-26-13(5)23/h6,14-17,21-22H,1-4,7-9H2,5H3/t14-,15+,16+,17-,20+/m0/s1
0 references
InChIKey
FACNDANBDBVSPS-HAJKQMQPSA-N
0 references
PubChem CID
102595390
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
100988292
1 reference
stated in
UniChem
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