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(Q104397766)
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English
Iboluteine
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
iboga alkaloid
0 references
mass
326.199428072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆N₂O₂
0 references
canonical SMILES
O=C1C2=CC(OC)=CC=C2NC13CCN4CC5CC(CC)C4C3C5
0 references
isomeric SMILES
CC[C@@H]1C[C@H]2C[C@H]3[C@@H]1N(CC[C@@]31Nc3ccc(OC)cc3C1=O)C2
0 references
found in taxon
Tabernaemontana corymbosa
1 reference
stated in
Alkaloids from leaves and root bark ofErvatamia hirta
Tabernaemontana bovina
1 reference
stated in
Iboga-Type Alkaloids from Ervatamia officinalis
Tabernaemontana ciliata
1 reference
stated in
Alcaloïdes du Pandaca ochrascens
Identifiers
InChI
InChI=1S/C20H26N2O2/c1-3-13-8-12-9-16-18(13)22(11-12)7-6-20(16)19(23)15-10-14(24-2)4-5-17(15)21-20/h4-5,10,12-13,16,18,21H,3,6-9,11H2,1-2H3/t12-,13+,16-,18+,20+/m0/s1
0 references
InChIKey
DQOMBBVESFBJLX-VXLUQLENSA-N
0 references
CAS Registry Number
468-11-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
21589055
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DQOMBBVESFBJLX-VXLUQLENSA-N
UniChem compound ID
31948609
1 reference
stated in
UniChem
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