| SpectraBase Compound ID | D7ZoF6LazEF |
|---|---|
| InChI | InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-23-35(42)38(9)29-34(41)28-37(38,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-40-36(5,6)25-15-26-39(40,10)43-40/h11-14,16-24,27,34,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+/t34-,38-,39-,40+/m0/s1 |
| InChIKey | MQRKXVCTROEVSI-VEXGNPIHSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C40H56O3 |
| Exact Mass | 584.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GSHgiZE1W1H |
|---|---|
| Name | (5-S,6-R)-CRYPTOCAPSIN-5,6-EPOXIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O3 |
| InChI | InChI=1S/C40H56O3/c1-30(18-13-20-32(3)22-23-35(42)38(9)29-34(41)28-37(38,7)8)16-11-12-17-31(2)19-14-21-33(4)24-27-40-36(5,6)25-15-26-39(40,10)43-40/h11-14,16-24,27,34,41H,15,25-26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,23-22+,27-24+,30-16+,31-17+,32-20+,33-21+/t34-,38-,39-,40+/m0/s1 |
| InChIKey | MQRKXVCTROEVSI-VEXGNPIHSA-N |
| Literature Reference Author | G.GULYAS-FEKETE,E.MURILLO,T.KURTAN,T.PAPP,T.Z.ILLYES,L.DRAHO S,J.VISY,A.AGOCS,E.T |
| Literature Reference Citation | J.NAT.PROD.,76,607(2013) |
| Literature Reference DOI | 10.1021/np3007827 |
| Molecular Weight | 584.883 g/mol |
| Sample ID | 42378 |
| Solvent | CDCl3 |