| SpectraBase Compound ID | 8DKPdJwRG18 |
|---|---|
| InChI | InChI=1S/C40H58O3/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40(43)38(8,9)25-15-26-39(40,10)42/h11-14,16-24,27,35,41-43H,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+/t35-,39-,40+/m1/s1 |
| InChIKey | BWLXXKZUWYZFGI-HGTNRAFMSA-N |
| Mol Weight | 586.9 g/mol |
| Molecular Formula | C40H58O3 |
| Exact Mass | 586.438596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3g2m2d1f5zy |
|---|---|
| Name | IPOMOEAXANTHIN-A;(5-R,6-S,3'-R)-5,6-DIHYDRO-BETA,BETA-CAROTENE-5,6,3'-TRIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58O3 |
| InChI | InChI=1S/C40H58O3/c1-30(18-13-20-32(3)22-23-36-34(5)28-35(41)29-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)24-27-40(43)38(8,9)25-15-26-39(40,10)42/h11-14,16-24,27,35,41-43H,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+/t35-,39-,40+/m1/s1 |
| InChIKey | BWLXXKZUWYZFGI-HGTNRAFMSA-N |
| Literature Reference Author | T.MAOKA,N.AKIMOTO,K.ISHIGURO,M.YOSHINAGA,M.YOSHIMOTO |
| Literature Reference Citation | PHYTOCHEM.,68,1740(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.03.019 |
| Molecular Weight | 586.899 g/mol |
| Sample ID | 42678 |
| Solvent | CDCl3 |