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(Q115969444)
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English
[4-acetyloxy-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(2-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
group of stereoisomers with the chemical formula C₃₂H₅₀N₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
542.3719727
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₀N₂O₅
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canonical SMILES
O=C(OC1CC2(C)C(CCC3C4CC=C(C(N(C)C)C)C4(C)CCC32)C(OC(=O)C)C1NC(=O)C(=CC)C)C
0 references
found in taxon
Sarcococca saligna
1 reference
stated in
3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA)
Identifiers
InChI
InChI=1S/C32H50N2O5/c1-10-18(2)30(37)33-28-27(38-20(4)35)17-32(7)25-15-16-31(6)23(19(3)34(8)9)13-14-24(31)22(25)11-12-26(32)29(28)39-21(5)36/h10,13,19,22,24-29H,11-12,14-17H2,1-9H3,(H,33,37)
0 references
InChIKey
SHJJWNZZBFZGIB-UHFFFAOYSA-N
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PubChem CID
75015132
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SHJJWNZZBFZGIB-UHFFFAOYSA-N
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