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(Q105313501)
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English
3-Demethoxy-2alpha,3alpha-methylenedioxyerythroculine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.01,9.03,7.015,20]icosa-8,15,17,19-tetraene-18-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
357.157622836
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,3S,7R)-17-methoxy-4,6-dioxa-12-azapentacyclo[10.8.0.01,9.03,7.015,20]icosa-8,15,17,19-tetraene-18-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₃NO₅
0 references
canonical SMILES
O=C(OC)C=1C=C2C(=CC1OC)CCN3CCC4=CC5OCOC5CC243
0 references
isomeric SMILES
COC(=O)c1cc2c(cc1OC)CCN1CCC3=C[C@@H]4OCO[C@@H]4C[C@]321
0 references
found in taxon
Hyperbaena valida
1 reference
stated in
Isolation, structure elucidation, and biological evaluation of 15-amido-3-demethoxy-2alpha,3alpha-methylenedioxyerythroculine, a new alkaloid from Hyperbaena valida.
Hyperbaena columbica
1 reference
stated in
Alkaloids from Hyperbaena columbica
Identifiers
InChI
InChI=1S/C20H23NO5/c1-23-16-7-12-3-5-21-6-4-13-8-17-18(26-11-25-17)10-20(13,21)15(12)9-14(16)19(22)24-2/h7-9,17-18H,3-6,10-11H2,1-2H3/t17-,18+,20-/m0/s1
0 references
InChIKey
WVGKKVOLNYNBFM-NSHGMRRFSA-N
0 references
PubChem CID
16059819
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WVGKKVOLNYNBFM-NSHGMRRFSA-N
UniChem compound ID
161924
1 reference
stated in
UniChem
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