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(Q105118954)
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English
12-Demethoxytabernulosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Vincaricine
1 reference
based on heuristic
inferred from SMILES
mass
368.173607248
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,9R,11S,14E,15R,17S,19S)-14-ethylidene-6-methoxy-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3(8),4,6-triene-19-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₄N₂O₄
0 references
canonical SMILES
O=C(OC)C1C2C(=CC)CN3C4OC5(NC6=CC=C(OC)C=C6C15C4)C3C2
0 references
isomeric SMILES
C/C=C1\CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@H]5C(=O)OC
0 references
found in taxon
Rauvolfia sellowii
1 reference
stated in
Indole alkaloids from Rauwolfia sellowii
Identifiers
InChI
InChI=1S/C21H24N2O4/c1-4-11-10-23-16-8-13(11)18(19(24)26-3)20-9-17(23)27-21(16,20)22-15-6-5-12(25-2)7-14(15)20/h4-7,13,16-18,22H,8-10H2,1-3H3/b11-4+/t13-,16-,17-,18+,20-,21-/m0/s1
0 references
InChIKey
IRMHHGGGRPOHRY-VLNWNMNSSA-N
0 references
PubChem CID
101690833
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IRMHHGGGRPOHRY-VLNWNMNSSA-N
UniChem compound ID
97499904
1 reference
stated in
UniChem
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