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Crassicautine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aconitane alkaloid
1 reference
inferred from
aconitane alkaloid
mass
631.335646768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₄₉NO₁₀
0 references
canonical SMILES
O=C(OC1C2C3CC1(O)C(OC)CC2(OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C7=CC=C(OC)C=C7
0 references
found in taxon
Aconitum hemsleyanum
2 references
stated in
High-performance liquid chromatographic analysis of C19-diterpenoid alkaloids
stated in
Diterpenoid Alkaloids from Aconitum crassicaule
Identifiers
InChI
InChI=1S/C34H49NO10/c1-8-35-16-31(17-39-2)21(36)13-22(41-4)34-20-14-32(38)23(42-5)15-33(44-7,25(28(34)35)26(43-6)27(31)34)24(20)29(32)45-30(37)18-9-11-19(40-3)12-10-18/h9-12,20-29,36,38H,8,13-17H2,1-7H3
0 references
InChIKey
OFXAETWIISXNGM-UHFFFAOYSA-N
0 references
CAS Registry Number
109333-61-1
0 references
PubChem CID
184067
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OFXAETWIISXNGM-UHFFFAOYSA-N
UniChem compound ID
53233207
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50911117
1 reference
matched by identifier from
InChIKey
InChIKey
OFXAETWIISXNGM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601340156
0 references
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