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(Q105298278)
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Teucroxylepin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7'-[2-(furan-3-yl)-2-hydroxyethyl]-11'-hydroxy-13'-methyl-9'-oxaspiro[oxirane-2,2'-tricyclo[5.3.3.0¹,⁶]tridecan]-8'-one
1 reference
based on heuristic
inferred from SMILES
mass
362.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methylspiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-8-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₆
0 references
canonical SMILES
O=C1OCC23C(O)CC(C)C1(CC(O)C4=COC=C4)C3CCCC52OC5
0 references
isomeric SMILES
C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@]1(C[C@H](O)c1ccoc1)[C@H]2CCC[C@]31CO1
0 references
found in taxon
Teucrium oxylepis
1 reference
stated in
Neo-clerodane diterpenoids from Teucrium oxylepis subsp. Marianum
Teucrium polium
1 reference
stated in
Structure elucidation and hepatotoxicity evaluation against HepG2 human cells of neo-clerodane diterpenes from Teucrium polium L.
Identifiers
InChI
InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-17(23)19(12,8-14(21)13-4-6-24-9-13)15(20)3-2-5-18(20)10-26-18/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,16-,18+,19+,20+/m1/s1
0 references
InChIKey
VWTNGVAKKRKLJQ-QRLLFLNSSA-N
0 references
PubChem CID
101619544
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VWTNGVAKKRKLJQ-QRLLFLNSSA-N
UniChem compound ID
97202632
1 reference
stated in
UniChem
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