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(Q105183770)
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English
12-epi-Montanin B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
1 reference
based on heuristic
inferred from SMILES
mass
332.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3R,4R,4aS,5'S)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₅
0 references
canonical SMILES
O=C1OC(C2=COC=C2)CC13C4C(=C(CO)CCC4)C(O)CC3C
0 references
isomeric SMILES
C[C@@H]1C[C@@H](O)C2=C(CO)CCC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O
0 references
found in taxon
Teucrium maghrebinum
4 references
stated in
Neoclerodane diterpenoids from Teucrium maghrebinum
stated in
Neo-clerodane diterpenoids from Teucrium massiliense
stated in
Neo-clerodane diterpenoids from Teucrium massiliense
stated in
Neo-clerodane diterpenoids from Teucrium yemense
Identifiers
InChI
InChI=1S/C19H24O5/c1-11-7-15(21)17-12(9-20)3-2-4-14(17)19(11)8-16(24-18(19)22)13-5-6-23-10-13/h5-6,10-11,14-16,20-21H,2-4,7-9H2,1H3/t11-,14+,15-,16-,19-/m1/s1
0 references
InChIKey
NQFQJZXPCAHOPD-DHMALTNQSA-N
0 references
PubChem CID
10735323
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NQFQJZXPCAHOPD-DHMALTNQSA-N
UniChem compound ID
34610112
1 reference
stated in
UniChem
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