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(Q105216419)
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English
(1R)-5-methoxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaene-6,12-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Racemosol
1 reference
based on heuristic
inferred from SMILES
mass
340.167459248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S)-5-methoxy-13,16,16-trimethyl-15-oxatetracyclo[8.7.1.02,7.014,18]octadeca-2(7),3,5,10,12,14(18)-hexaene-6,12-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄O₄
0 references
canonical SMILES
OC=1C=C2C3=C(OC(C)(C)CC3C4=CC=C(OC)C(O)=C4CC2)C1C
0 references
isomeric SMILES
COc1ccc2c(c1O)CCc1cc(O)c(C)c3c1[C@@H]2CC(C)(C)O3
0 references
found in taxon
Bauhinia racemosa
1 reference
stated in
Pacharin: a new dibenzo(2,3-6,7)oxepin derivative from bauhinia racemosa lamk
Piliostigma malabaricum
1 reference
stated in
Antimalarial preracemosols A and B, possible biogenetic precursors of racemosol from Bauhinia malabarica Roxb
Phanera vahlii
1 reference
stated in
Pacharin: a new dibenzo(2,3-6,7)oxepin derivative from bauhinia racemosa lamk
Identifiers
InChI
InChI=1S/C21H24O4/c1-11-16(22)9-12-5-6-14-13(7-8-17(24-4)19(14)23)15-10-21(2,3)25-20(11)18(12)15/h7-9,15,22-23H,5-6,10H2,1-4H3/t15-/m1/s1
0 references
InChIKey
PXUNBQVWLWLIHU-OAHLLOKOSA-N
0 references
PubChem CID
101085897
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PXUNBQVWLWLIHU-OAHLLOKOSA-N
UniChem compound ID
96833990
1 reference
stated in
UniChem
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