| SpectraBase Compound ID | 6zfInrjyAKp |
|---|---|
| InChI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,34,36-37,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t34?,36-,37+/m1/s1 |
| InChIKey | GZXVFAPDDRVGGD-SIZNUJQASA-N |
| Mol Weight | 552.9 g/mol |
| Molecular Formula | C40H56O |
| Exact Mass | 552.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10eQ7khoXFu |
|---|---|
| Name | (3-R,5'-RS,6'-R)-3',4'-DIDEHYDRO-5',6'-DIHYDRO-BETA,BETA-CAROTEN-3-OL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O |
| InChI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,34,36-37,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t34?,36-,37+/m1/s1 |
| InChIKey | GZXVFAPDDRVGGD-SIZNUJQASA-N |
| Literature Reference Author | F.KHACHIK,A.N.CHANG,A.GANA,E.MAZZOLA |
| Literature Reference Citation | J.NAT.PROD.,70,220(2007) |
| Literature Reference DOI | 10.1021/np060575v |
| Molecular Weight | 552.884 g/mol |
| Sample ID | 29627 |
| Solvent | CDCl3 |