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(Q104396013)
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12-Epiteupolin II
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5''-(furan-3-yl)-8'a-(hydroxymethyl)-6'-methyl-2''-oxo-hexahydro-2'H-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
404.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Teupolin II
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₇
0 references
canonical SMILES
O=C(OC1CC(C)C2(C(=O)OC(C3=COC=C3)C2)C4CCCC5(OC5)C14CO)C
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@H]2CCC[C@]3(CO3)[C@]12CO
0 references
found in taxon
Teucrium canadense
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium canadense
Teucrium abutiloides
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium abutiloides
Teucrium lamiifolium
3 references
stated in
12-Epiteupolin II, a neo-clerodane diterpenoid from Teucrium lamiifolium
stated in
12-Epiteupolin II, a neo-clerodane diterpenoid from Teucrium lamiifolium
stated in
12-Epiteupolin II, a neo-clerodane diterpenoid from Teucrium lamiifolium
Identifiers
InChI
InChI=1S/C22H28O7/c1-13-8-18(28-14(2)24)22(11-23)17(4-3-6-20(22)12-27-20)21(13)9-16(29-19(21)25)15-5-7-26-10-15/h5,7,10,13,16-18,23H,3-4,6,8-9,11-12H2,1-2H3/t13-,16-,17-,18+,20+,21-,22+/m1/s1
0 references
InChIKey
VBPDFHXDMUNMDH-GOORKCOQSA-N
0 references
PubChem CID
14163581
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBPDFHXDMUNMDH-GOORKCOQSA-N
UniChem compound ID
97878969
1 reference
stated in
UniChem
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