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(Q105142218)
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English
Ancistrobertsonine B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
isoquinoline alkaloid
0 references
mass
435.240958536
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
O,N-Dimethylancistrocladine
1 reference
based on heuristic
inferred from InChI
(1R,3R)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₃NO₄
0 references
canonical SMILES
O(C1=CC=CC=2C1=C(OC)C=C(C2C=3C(OC)=CC(OC)=C4C3CC(N(C)C4C)C)C)C
0 references
isomeric SMILES
COc1cc(OC)c2c(c1-c1c(C)cc(OC)c3c(OC)cccc13)C[C@H](C)N(C)[C@@H]2C
0 references
found in taxon
Ancistrocladus robertsoniorum
1 reference
stated in
Ancistrobertsonines B, C, and D as well as 1,2-didehydroancistrobertsonine D from Ancistrocladus robertsoniorum
Identifiers
InChI
InChI=1S/C27H33NO4/c1-15-12-21(30-6)26-18(10-9-11-20(26)29-5)24(15)27-19-13-16(2)28(4)17(3)25(19)22(31-7)14-23(27)32-8/h9-12,14,16-17H,13H2,1-8H3/t16-,17+/m0/s1
0 references
InChIKey
KKJVVBRCACGMIS-DLBZAZTESA-N
0 references
PubChem CID
10646544
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
33292363
1 reference
stated in
UniChem
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