| SpectraBase Spectrum ID |
EB5HegskARm |
| Name |
rel-N,N'-Diacetyl-N(4'''')-methyl-O,O',N(4'''')-tris(trideuterioacetyl)-6'''',7''''-Dihydro-4'''',5'''':4'''',8a''''-disecojuliprosopine |
| Alternate Name(s) |
(2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(4-(N-methylacetamido-2,2,2-d3)butyl)tricosane-1,23-diyl)bis(1-acetyl-2-methylpiperidine-6,3-diyl) bis(acetate-d6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H84D9N3O7 |
| InChI |
InChI=1S/C51H93N3O7/c1-39(28-22-18-14-10-12-16-20-24-31-48-33-35-50(60-45(7)58)40(2)53(48)43(5)56)38-47(30-26-27-37-52(9)42(4)55)29-23-19-15-11-13-17-21-25-32-49-34-36-51(61-46(8)59)41(3)54(49)44(6)57/h39-41,47-51H,10-38H2,1-9H3/t39?,40-,41-,47?,48+,49+,50-,51-/m0/s1/i4D3,7D3,8D3 |
| InChIKey |
JGFFDUOYFRLKKT-SPIWQEAUSA-N |
| Literature Reference DOI |
10.1002/hlca.19800630738 |
| Molecular Weight |
869.374 g/mol |
| SMILES |
[C@@]1([C@@](N([C@](CCCCCCCCCCC(CC(CCCCN(C(=O)C([2D])([2D])[2D])C)CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(OC(C([2D])([2D])[2D])=O)[H])(C)[H])C(=O)C)[H])C)(CC1)[H])C(C)=O)(C)[H])(OC(C([2D])([2D])[2D])=O)[H] |
| SPLASH |
splash10-052b-9730110220-b86f858e88e61397dbc6 |
| Source of Spectrum |
H-63-2129-15_d(9) |
| Wiley ID |
1797513 |
