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(Q82931287)
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Bisline
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-ethyl-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
1 reference
based on heuristic
inferred from SMILES
mass
353.183837584
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,4S,6R,7S,17R)-4-ethyl-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4S,6R,7R,17R)-4-ethyl-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₇NO₆
0 references
canonical SMILES
O=C1OCC2=CCN3CCC(OC(=O)C(O)(CC)CC(C)C1(O)C)C23
0 references
isomeric SMILES
CC[C@@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
0 references
found in taxon
Senecio ruwenzoriensis
2 references
stated in
Structure revision of isoline (ruwenine), bisline and isolinecic acid
stated in
The principal alkaloid of Senecio schweinfurthii
Identifiers
InChI
InChI=1S/C18H27NO6/c1-4-18(23)9-11(2)17(3,22)15(20)24-10-12-5-7-19-8-6-13(14(12)19)25-16(18)21/h5,11,13-14,22-23H,4,6-10H2,1-3H3/t11-,13-,14-,17+,18-/m1/s1
0 references
InChIKey
QZJRTVIGIAAJPX-GPBKISAOSA-N
0 references
CAS Registry Number
30258-28-7
0 references
PubChem CID
181990
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QZJRTVIGIAAJPX-GPBKISAOSA-N
UniChem compound ID
67310024
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30952624
1 reference
matched by identifier from
InChIKey
InChIKey
QZJRTVIGIAAJPX-GPBKISAOSA-N
DSSTOX compound identifier
DTXCID101380705
0 references
UNII
T4ALZ3HDK8
1 reference
matched by identifier from
InChIKey
InChIKey
QZJRTVIGIAAJPX-GPBKISAOSA-N
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