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(Q105015111)
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English
[8-Acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
group of stereoisomers with the chemical formula C₃₃H₄₅NO₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
aconitane alkaloid
1 reference
inferred from
aconitane alkaloid
mass
647.29417588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₄₅NO₁₂
0 references
canonical SMILES
O=C(OC1C2C3(O)CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C53C(OC)CC6O)C=7C=CC=CC7
0 references
found in taxon
Aconitum kusnezoffii
1 reference
stated in
Characterization of aconitine‐type alkaloids in the flowers of Aconitum kusnezoffii by electrospray ionization tandem mass spectrometry
Identifiers
InChI
InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3
0 references
InChIKey
GPTAWZLFSGYZGC-UHFFFAOYSA-N
0 references
PubChem CID
73813823
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GPTAWZLFSGYZGC-UHFFFAOYSA-N
UniChem compound ID
76794969
1 reference
stated in
UniChem
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