| SpectraBase Spectrum ID |
CuwQ7QRxHLI |
| Name |
{(1"S,2"R,4"R)-N,N-diisopropylbornan-10"-sulfonamid-2"-yl} 2-{(1'.alpha.-ethyl-1',2',3',4',6',7',12',12b'.alpha.octahydroindolo[2',3'-a]quinolizin-1'.beta.-yl)methyl}malonate diasteromer |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H55N3O6S |
| InChI |
InChI=1S/C37H55N3O6S/c1-8-36(16-11-18-39-19-15-27-26-12-9-10-13-29(26)38-31(27)32(36)39)21-28(33(41)42)34(43)46-30-20-25-14-17-37(30,35(25,6)7)22-47(44,45)40(23(2)3)24(4)5/h9-10,12-13,23-25,28,30,32,38H,8,11,14-22H2,1-7H3,(H,41,42)/t25-,28?,30+,32-,36-,37-/m0/s1 |
| InChIKey |
YNKUMHGKUYTALO-ZVAVJZSLSA-N |
| Molecular Weight |
669.922 g/mol |
| SMILES |
[nH]1c2ccccc2c2c1[C@]1([C@](CC(C(=O)O)C(O[C@]3([C@]4(CS(N(C(C)C)C(C)C)(=O)=O)C([C@@](CC4)(C3)[H])(C)C)[H])=O)(CCCN1CC2)CC)[H] |
| SPLASH |
splash10-01b9-0093005000-f5f7263510f17eb32019 |
| Source of Spectrum |
H1-45-2012-9 |
| Synonyms |
2-((1S,12bR)-1-Ethyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-1-ylmethyl)-malonic acid mono-{1-[(diisopropylsulfamoyl)-methyl]-7,7-dimethyl-bicyclo[2.2.1]hept-2-yl} ester
{(1''S,2''R,4''R)-N,N-diisopropylbornan-10''-sulfonamid-2''-yl} 2-{(1'.alpha.-ethyl-1',2',3',4',6',7',12',12b'.alpha.octahydroindolo[2',3'-a]quinolizin-1'.beta.-yl)methyl}malonate diasteromer |
| Wiley ID |
815955 |
![{(1"S,2"R,4"R)-N,N-diisopropylbornan-10"-sulfonamid-2"-yl} 2-{(1'.alpha.-ethyl-1',2',3',4',6',7',12',12b'.alpha.octahydroindolo[2',3'-a]quinolizin-1'.beta.-yl)methyl}malonate diasteromer](/api/spectrum/CuwQ7QRxHLI/structure.png?h=300&w=458 "{(1\"S,2\"R,4\"R)-N,N-diisopropylbornan-10\"-sulfonamid-2\"-yl} 2-{(1'.alpha.-ethyl-1',2',3',4',6',7',12',12b'.alpha.octahydroindolo[2',3'-a]quinolizin-1'.beta.-yl)methyl}malonate diasteromer")
