| SpectraBase Spectrum ID |
1o8maKbdFg |
| Name |
rel-N,N',O,O'-Tetraacetyl-N(4'''')-methyl-5'''',8''''-Didehydro-4'''',5''''-secojuliprosopine |
| Alternate Name(s) |
(2S,2'S,3S,3'S,6R,6'R)-(13-methylene-11-(1-methylpyrrolidin-2-yl)tricos-11-ene-1,23-diyl)bis(1-acetyl-2-methylpiperidine-6,3-diyl) diacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C49H85N3O6 |
| InChI |
InChI=1S/C49H85N3O6/c1-37(26-21-17-13-9-11-15-19-23-28-45-31-33-48(57-42(6)55)38(2)51(45)40(4)53)36-44(47-30-25-35-50(47)8)27-22-18-14-10-12-16-20-24-29-46-32-34-49(58-43(7)56)39(3)52(46)41(5)54/h36,38-39,45-49H,1,9-35H2,2-8H3/t38-,39-,45+,46+,47?,48-,49-/m0/s1 |
| InChIKey |
ZSIIZQHWVVZBGS-CEHVCBFWSA-N |
| Literature Reference DOI |
10.1002/hlca.19800630738 |
| Molecular Weight |
812.234 g/mol |
| SMILES |
[C@@]1([C@@](N([C@](CCCCCCCCCCC(C=C(C2N(CCC2)C)CCCCCCCCCC[C@]2(N([C@]([C@](CC2)(OC(C)=O)[H])(C)[H])C(=O)C)[H])=C)(CC1)[H])C(C)=O)(C)[H])(OC(C)=O)[H] |
| SPLASH |
splash10-01ot-6900200010-5fd11cb8d15528aac9b1 |
| Source of Spectrum |
H-63-2128-12 |
| Wiley ID |
1797508 |
