SpectraBase Spectrum ID |
DwguNUBGfhI |
Name |
(2S,3R,12bR)-3-Acetyl-2-{[2-(3-indolyl)ethylcarbamoyl](methoxycarbonyl)methyl}-1,2,3.4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H34N4O4 |
InChI |
InChI=1S/C31H34N4O4/c1-18(36)24-17-35-14-12-22-21-8-4-6-10-26(21)34-29(22)27(35)15-23(24)28(31(38)39-2)30(37)32-13-11-19-16-33-25-9-5-3-7-20(19)25/h3-10,16,23-24,27-28,33-34H,11-15,17H2,1-2H3,(H,32,37)/t23-,24+,27+,28?/m0/s1 |
InChIKey |
QEEJFDNFAQSAFH-HEFFBXNTSA-N |
Molecular Weight |
526.637 g/mol |
SMILES |
[nH]1c2[C@]3(C[C@](C(C(NCCc4c5ccccc5[nH]c4)=O)C(OC)=O)([C@](CN3CCc2c2c1cccc2)(C(=O)C)[H])[H])[H] |
SPLASH |
splash10-001l-0910000000-445588bc49610121ab98 |
Source of Spectrum |
K-108-256-12 |
Synonyms |
Methyl 3-((2-(1H-indol-3-yl)ethyl)amino)-2-((2S,3R,12bR)-3-acetyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-oxopropanoate |
Wiley ID |
1793805 |