| SpectraBase Spectrum ID |
BZbeVbdDaIc |
| Name |
rel-N,N'-Diacetyl-N(4'''')-methyl-6'''',7''''-Dihydro-4'''',5'''':4'''',8a''''-disecojuliprosopine |
| Alternate Name(s) |
1,1'-((2S,2'S,3S,3'S,6R,6'R)-(11-methyl-13-(4-(methylamino)butyl)tricosane-1,23-diyl)bis(3-hydroxy-2-methylpiperidine-6,1-diyl))bis(ethan-1-one) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H87N3O4 |
| InChI |
InChI=1S/C45H87N3O4/c1-36(25-19-15-11-7-9-13-17-21-28-42-30-32-44(51)37(2)47(42)39(4)49)35-41(27-23-24-34-46-6)26-20-16-12-8-10-14-18-22-29-43-31-33-45(52)38(3)48(43)40(5)50/h36-38,41-46,51-52H,7-35H2,1-6H3/t36?,37-,38-,41?,42+,43+,44-,45-/m0/s1 |
| InChIKey |
LHBUNDUNTPSPRS-QLIVIPBZSA-N |
| Literature Reference DOI |
10.1002/hlca.19800630738 |
| Molecular Weight |
734.208 g/mol |
| SMILES |
N(CCCCC(CCCCCCCCCC[C@]1(N([C@]([C@](CC1)(O)[H])(C)[H])C(=O)C)[H])CC(CCCCCCCCCC[C@]1(N([C@]([C@](CC1)(O)[H])(C)[H])C(C)=O)[H])C)C |
| SPLASH |
splash10-0btc-9400100000-ce2212a5c14157131739 |
| Source of Spectrum |
H-63-2128-14 |
| Wiley ID |
1797512 |
