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(Q105035826)
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English
3-epivobasinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl (19trans)-3-hydroxyvobasan-17-oate
1 reference
based on heuristic
inferred from SMILES
methyl 15-ethylidene-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]octadeca-3(11),4,6,8-tetraene-18-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
354.194342692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,12R,14S,15E,18S)-15-ethylidene-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Vobasinol
1 reference
based on heuristic
inferred from InChI
methyl (1S,12R,14R,15E,18S)-15-ethylidene-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆N₂O₃
0 references
canonical SMILES
O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4NC3C(O)C2
0 references
isomeric SMILES
C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](O)C[C@@H]1[C@@H]2C(=O)OC
0 references
found in taxon
Hunteria zeylanica
1 reference
stated in
Bisnicalaterine A, a vobasine-vobasine bisindole alkaloid from Hunteria zeylanica.
Identifiers
InChI
InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17-19,22,24H,9-11H2,1-3H3/b12-4-/t14-,17+,18+,19-/m0/s1
0 references
InChIKey
HZRZXZZTSRUSLH-BEUHHAQPSA-N
0 references
PubChem CID
102597508
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HZRZXZZTSRUSLH-BEUHHAQPSA-N
UniChem compound ID
97420456
1 reference
stated in
UniChem
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