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(Q105219186)
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methyl (1S,4R,7S,8S,9R,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
chemical compound
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instance of
type of chemical entity
0 references
subclass of
Methyl 4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
1 reference
based on heuristic
inferred from SMILES
methyl (1S,7S,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undec-5-ene-8-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
242.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,4R,7S,8S,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4R,7S,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,4R,7R,8S,9R,11R)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,4R,7R,8R,9R,11R)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4S,7S,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4S,7R,8S,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4S,7R,8R,9S,11S)-4,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-5-ene-8-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alpha-Gardiol
1 reference
based on heuristic
inferred from InChI
Gardenogenin B
1 reference
based on heuristic
inferred from InChI
beta-Gardiol
1 reference
based on heuristic
inferred from InChI
Gardenogenin A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₆
0 references
canonical SMILES
O=C(OC)C1C(O)OC2OCC3(O)C=CC1C23
0 references
isomeric SMILES
COC(=O)[C@H]1[C@H]2C=C[C@]3(O)CO[C@@H](O[C@H]1O)[C@@H]23
0 references
found in taxon
Rothmannia macrophylla
1 reference
stated in
Iridoids from Rothmannia macrophylla
Singaporandia macrophylla
1 reference
stated in
Iridoids from Rothmannia macrophylla
Identifiers
InChI
InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6-,7-,9-,10+,11+/m1/s1
0 references
InChIKey
QEGAWOPOQXLXMR-QEEWDVCTSA-N
0 references
PubChem CID
163042986
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEGAWOPOQXLXMR-QEEWDVCTSA-N
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