| SpectraBase Spectrum ID |
3KmzPDbxrqw |
| Name |
[(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-ylidene]amino] 4-bromobenzoate |
| Appearance |
Amorphous white solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32BrNO3 |
| InChI |
InChI=1S/C27H32BrNO3/c1-18-22(11-6-19-12-15-31-17-19)27(4)14-5-13-26(2,3)24(27)16-23(18)29-32-25(30)20-7-9-21(28)10-8-20/h7-10,12,15,17,24H,5-6,11,13-14,16H2,1-4H3/t24-,27+/m0/s1 |
| InChIKey |
NUPCRWXGUTVGRY-RPLLCQBOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00200 |
| Molecular Weight |
498.461 g/mol |
| Optical Rotation |
[a]D20 = -27 (c = 0.3, CHCl3) |
| Reported Formula |
C27H32NO3(81)Br |
| SMILES |
C1C[C@]2([C@@](C(C1)(C)C)([H])CC(C(=C2CCc1cocc1)C)=NOC(=O)c1ccc(cc1)Br)C |
| SPLASH |
splash10-001i-1590000000-bb1fcb5f7c6482ddd766 |
| Source of Spectrum |
G4-83-2162-14 |
| Wiley ID |
1876887 |
![[(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-ylidene]amino] 4-bromobenzoate](/api/spectrum/3KmzPDbxrqw/structure.png?h=300&w=458 "[(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-ylidene]amino] 4-bromobenzoate")
