| SpectraBase Compound ID | ENN67Df9oKf |
|---|---|
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1 |
| InChIKey | GBDITKZBAOCLPE-NGKWUEFESA-N |
| Mol Weight | 616.9 g/mol |
| Molecular Formula | C40H56O5 |
| Exact Mass | 616.412775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bj0OfTTgtI |
|---|---|
| Name | (3S,5R,6R,3'S,5'R)-5,3',8'-TRIHYDROXY-3,6-EPOXY-5,6-DIHYDRO-BETA,KAPPA-CAROTEN-6'-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O5 |
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)26-33(45-40)27-39(40,10)44)15-11-12-16-29(2)19-14-20-31(4)34(42)23-35(43)38(9)25-32(41)24-36(38,5)6/h11-23,32-33,41-42,44H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+,34-23-/t32-,33-,38-,39+,40+/m0/s1 |
| InChIKey | GBDITKZBAOCLPE-NGKWUEFESA-N |
| Literature Reference Author | T.MAOKA,K.HASHIMOTO,N.AKIMOTO,Y.FUJIWARA |
| Literature Reference Citation | J.NAT.PROD.,64,578(2001) |
| Literature Reference DOI | 10.1021/np000476w |
| Molecular Weight | 616.882 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU7065 |