| SpectraBase Compound ID | 2AakdK8KZ8E |
|---|---|
| InChI | InChI=1S/C46H62O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-28-38-37(6)27-29-40(48)46(38,9)10)19-13-21-34(3)22-14-23-35(4)25-16-30-45(7,8)53-44-43(51)42(50)41(49)39(31-47)52-44/h11-29,39,41-44,47,49-51H,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-,41-,42+,43-,44+/m0/s1 |
| InChIKey | WCJRTUFWFLRDJF-PNQDZAHZSA-N |
| Mol Weight | 727.0 g/mol |
| Molecular Formula | C46H62O7 |
| Exact Mass | 726.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8G3fyYi8F4U |
|---|---|
| Name | 1'-BETA-GLUCOPYRANOSYL-3,4,3',4'-TETRADEHYDRO-1',2'-DIHYDRO-BETA,PSI-CAROTEN-2-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H62O7 |
| InChI | InChI=1S/C46H62O7/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-28-38-37(6)27-29-40(48)46(38,9)10)19-13-21-34(3)22-14-23-35(4)25-16-30-45(7,8)53-44-43(51)42(50)41(49)39(31-47)52-44/h11-29,39,41-44,47,49-51H,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,28-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t39-,41-,42+,43-,44+/m0/s1 |
| InChIKey | WCJRTUFWFLRDJF-PNQDZAHZSA-N |
| Literature Reference Author | M.L.BURGESS,K.D.BARROW,C.GAO,G.M.HEARD,D.GLENN |
| Literature Reference Citation | J.NAT.PROD.,62,859(1999) |
| Literature Reference DOI | 10.1021/np980573d |
| Molecular Weight | 726.994 g/mol |
| Solvent | CD3OD |
| Source File Reference | WANG329 |