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(Q105133481)
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English
Polystachyne A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Methyl-5'-(3-furyl)-4a,5-(methanoxymethano)-4a,5,6,8a,4',5'-hexahydro-2',3-epoxyspiro[tetralin-1,3'(2'H)-furan]-9-one
1 reference
based on heuristic
inferred from SMILES
mass
342.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2R,6S,10S,12R,14S,16R,18S)-16-(furan-3-yl)-18-methyl-8,13,15-trioxapentacyclo[10.5.1.01,14.02,10.06,10]octadec-3-en-7-one
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₂₀H₂₂O₅
0 references
canonical SMILES
O=C1OCC23CC4OC5OC(C6=COC=C6)CC5(C3C=CCC12)C4C
0 references
isomeric SMILES
C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2
0 references
found in taxon
Salvia xalapensis
2 references
stated in
Polystachynes A-E, five cis-neo-clerodane diterpenoids from Salvia polystachya
stated in
Evaluation of the antiprotozoal activity of neo-clerodane type diterpenes from Salvia polystachya against Entamoeba histolytica and Giardia lamblia
Identifiers
InChI
InChI=1S/C20H22O5/c1-11-14-7-19-10-23-17(21)13(19)3-2-4-16(19)20(11)8-15(25-18(20)24-14)12-5-6-22-9-12/h2,4-6,9,11,13-16,18H,3,7-8,10H2,1H3/t11-,13+,14-,15-,16-,18-,19-,20-/m1/s1
0 references
InChIKey
JQHRRMYSQRDDFZ-HSIWAIONSA-N
0 references
PubChem CID
101022938
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97120809
1 reference
stated in
UniChem
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