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Crassicausine
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
615.340732148
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₄H₄₉NO₉
0 references
canonical SMILES
O=C(OC1C2C3CC1(O)C(OC)CC2(OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)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/C34H49NO9/c1-8-35-17-31(18-38-2)14-13-22(40-4)34-21-15-32(37)23(41-5)16-33(43-7,25(28(34)35)26(42-6)27(31)34)24(21)29(32)44-30(36)19-9-11-20(39-3)12-10-19/h9-12,21-29,37H,8,13-18H2,1-7H3
0 references
InChIKey
AFRMHVZQQVWATN-UHFFFAOYSA-N
0 references
CAS Registry Number
109305-85-3
0 references
PubChem CID
184062
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AFRMHVZQQVWATN-UHFFFAOYSA-N
UniChem compound ID
66015451
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70911098
1 reference
matched by identifier from
InChIKey
InChIKey
AFRMHVZQQVWATN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801340138
0 references
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