| SpectraBase Compound ID | 1jBn5iQUV5p |
|---|---|
| InChI | InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-24-36-34(5)28-35(41)29-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)23-25-37(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,35,41H,15,26-29H2,1-10H3/b12-11+,18-13+,19-14+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1 |
| InChIKey | ZPLDHICCJOHBSS-BISZQXSZSA-N |
| Mol Weight | 568.9 g/mol |
| Molecular Formula | C40H56O2 |
| Exact Mass | 568.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXL1xOsk5II |
|---|---|
| Name | 3'-DEOXYCAPSANTHIN;(3R,5'R)-3-HYDROXY-BETA,KAPPA-CAROTEN-6'-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56O2 |
| InChI | InChI=1S/C40H56O2/c1-30(18-13-20-32(3)22-24-36-34(5)28-35(41)29-38(36,6)7)16-11-12-17-31(2)19-14-21-33(4)23-25-37(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,35,41H,15,26-29H2,1-10H3/b12-11+,18-13+,19-14+,24-22+,25-23+,30-16+,31-17+,32-20+,33-21+/t35-,40-/m0/s1 |
| InChIKey | ZPLDHICCJOHBSS-BISZQXSZSA-N |
| Literature Reference Author | T.MAOKA,N.AKIMOTO,Y.FUJIWARA,K.HASHIMOTO |
| Literature Reference Citation | J.NAT.PROD.,67,115(2004) |
| Literature Reference DOI | 10.1021/np030400a |
| Molecular Weight | 568.883 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP653 |