| SpectraBase Spectrum ID |
3AwNRmWtyy |
| Name |
(3aS,5S,7aR,9aR)-3-(tert-Butoxycarbonyl)-4-oxo-1,2,3,3a,4,5,6,7,7a,9a-decahydro-3,4a-diazacyclopenta[f]azulene-5-carboxylic acid tert-butyl ester |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32N2O5 |
| InChI |
InChI=1S/C21H32N2O5/c1-20(2,3)27-18(25)15-10-9-14-8-7-13-11-12-22(16(13)17(24)23(14)15)19(26)28-21(4,5)6/h7-8,13-16H,9-12H2,1-6H3/t13-,14-,15-,16-/m0/s1 |
| InChIKey |
GOIZONVXMXHPOC-VGWMRTNUSA-N |
| Instrument Name |
Finnigan MAT Incos 50 Galaxy |
| Ionization Type |
DIP-EI |
| Molecular Weight |
392.496 g/mol |
| Optical Rotation |
[a]D20 = -212.6 (589 nm), -252.1 (546 nm), -514.6 (405 nm), -672.6 (365 nm), -860.7 (334 nm) (c = 301.015, CHCl3) |
| Reported Formula |
C21H32N2O5 |
| SMILES |
C1[C@](N2[C@](C1)(C=C[C@@]1([C@@](C2=O)(N(CC1)C(=O)OC(C)(C)C)[H])[H])[H])(C(OC(C)(C)C)=O)[H] |
| SPLASH |
splash10-0a4r-8491000000-12f220a35c22e98fa737 |
| Source of Spectrum |
US20110034438A1 |
| Thin-Layer Chromatography |
Rf = 0.20 (SiO2, EE/CH, 1:1) |
| Wiley ID |
1861641 |
![(3aS,5S,7aR,9aR)-3-(tert-Butoxycarbonyl)-4-oxo-1,2,3,3a,4,5,6,7,7a,9a-decahydro-3,4a-diazacyclopenta[f]azulene-5-carboxylic acid tert-butyl ester](/api/spectrum/3AwNRmWtyy/structure.png?h=300&w=458 "(3aS,5S,7aR,9aR)-3-(tert-Butoxycarbonyl)-4-oxo-1,2,3,3a,4,5,6,7,7a,9a-decahydro-3,4a-diazacyclopenta[f]azulene-5-carboxylic acid tert-butyl ester")
