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(Q104936998)
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English
[6,7,13-Trimethyl-16-(methylamino)-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate
group of stereoisomers with the chemical formula C₂₉H₄₆N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
pregnane steroid
1 reference
inferred from
pregnane steroid
conanine alkaloid
1 reference
inferred from
conanine alkaloid
mass
454.355928712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₆N₂O₂
0 references
canonical SMILES
O=C(OC1CC2C(CC=C3CC(NC)CCC32C)C4CCC5C(N(C)CC154)C)CC=C(C)C
0 references
found in taxon
Holarrhena pubescens
1 reference
stated in
Holarrhesin, ein neues Steroidalkaloid aus Holarrhena floribunda
Identifiers
InChI
InChI=1S/C29H46N2O2/c1-18(2)7-12-27(32)33-26-16-25-22(9-8-20-15-21(30-5)13-14-28(20,25)4)24-11-10-23-19(3)31(6)17-29(23,24)26/h7-8,19,21-26,30H,9-17H2,1-6H3
0 references
InChIKey
BJEAHAPLWWPUQZ-UHFFFAOYSA-N
0 references
PubChem CID
85425809
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BJEAHAPLWWPUQZ-UHFFFAOYSA-N
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