| SpectraBase Spectrum ID |
C71kiFYNMfJ |
| Name |
(2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-pent-4-enyl-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester |
| Alternate Name(s) |
1-Benzyl 2-methyl (2S,3aR,7R,7aS)-4-[2-(dimethylamino)-2-oxoethyl]-7-(4-pentenyl)-2,3,3a,6,7,7a-hexahydro-1H-indole-1,2-dicarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36N2O5 |
| InChI |
InChI=1S/C27H36N2O5/c1-5-6-8-13-20-14-15-21(16-24(30)28(2)3)22-17-23(26(31)33-4)29(25(20)22)27(32)34-18-19-11-9-7-10-12-19/h5,7,9-12,15,20,22-23,25H,1,6,8,13-14,16-18H2,2-4H3/t20-,22-,23+,25+/m1/s1 |
| InChIKey |
HQQWWLDIKWMOKB-SRTADBNSSA-N |
| Molecular Weight |
468.594 g/mol |
| SMILES |
[C@@]12(N([C@@](C[C@@]2(C(CC(N(C)C)=O)=CC[C@]1(CCCC=C)[H])[H])(C(=O)OC)[H])C(OCc1ccccc1)=O)[H] |
| SPLASH |
splash10-0006-9212100000-67528d0e7430c9fc9ab1 |
| Source of Spectrum |
C-117-11110-17 |
| Wiley ID |
759366 |
