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(Q105290930)
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English
(4-Acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-5-yl) 2-methylprop-2-enoate
group of stereoisomers with the chemical formula C₂₁H₂₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
406.1627677919998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₈
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C2C(=C)C(=O)OC2CC(C=CC(=O)C1(O)C)C)C(=C)C
0 references
found in taxon
Calea urticifolia
1 reference
stated in
Revision of the structures of caleine A and B, germacranolide sesquiterpenes from Calea zacatechichi
Calea ternifolia
1 reference
stated in
Germacranolides from Calea urticifolia
Identifiers
InChI
InChI=1S/C21H26O8/c1-10(2)19(24)29-18-17(27-13(5)22)16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(18,6)26/h7-8,11,14,16-18,26H,1,4,9H2,2-3,5-6H3
0 references
InChIKey
VPQNLDWXNPGQQT-UHFFFAOYSA-N
0 references
PubChem CID
162984925
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VPQNLDWXNPGQQT-UHFFFAOYSA-N
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