| SpectraBase Spectrum ID |
IUf6V4U56gE |
| Name |
rel-N,N'-Diacetyl-N(4'''')-methyl-5'''',8''''-Didehydro-4'''',5''''-secojuliprosopine |
| Alternate Name(s) |
1,1'-((2S,2'S,3S,3'S,6R,6'R)-(13-methylene-11-(1-methylpyrrolidin-2-yl)tricos-11-ene-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 |
C45H81N3O4 |
| InChI |
InChI=1S/C45H81N3O4/c1-35(24-19-15-11-7-9-13-17-21-26-41-29-31-44(51)36(2)47(41)38(4)49)34-40(43-28-23-33-46(43)6)25-20-16-12-8-10-14-18-22-27-42-30-32-45(52)37(3)48(42)39(5)50/h34,36-37,41-45,51-52H,1,7-33H2,2-6H3/t36-,37-,41+,42+,43?,44-,45-/m0/s1 |
| InChIKey |
KBXCSCSWEXHSEX-UIJNJYBKSA-N |
| Literature Reference DOI |
10.1002/hlca.19800630738 |
| Molecular Weight |
728.160 g/mol |
| SMILES |
O[C@@]1([C@@](N([C@](CCCCCCCCCCC(=CC(CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(O)[H])(C)[H])C(C)=O)[H])=C)C2N(CCC2)C)(CC1)[H])C(=O)C)(C)[H])[H] |
| SPLASH |
splash10-03dj-6900100000-baad2c9df8dc7ec254fd |
| Source of Spectrum |
H-63-2128-11 |
| Wiley ID |
1797507 |
