| SpectraBase Compound ID | EthbUdCaxZ7 |
|---|---|
| InChI | InChI=1S/C28H42O9/c1-25-7-3-16(37-24-23(32)22(31)20(29)14-36-24)12-27(25,33)9-5-19-18(25)4-8-26(2)17(6-10-28(19,26)34)15-11-21(30)35-13-15/h11,16-20,22-24,29,31-34H,3-10,12-14H2,1-2H3/t16-,17+,18?,19?,20+,22-,23+,24-,25+,26+,27-,28-/m0/s1 |
| InChIKey | PJCAANBWOIEGPP-SILLNRRDSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C28H42O9 |
| Exact Mass | 522.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GAWKRhMszie |
|---|---|
| Name | 3-O-BETA-D-XYLOPYRANOSYLPERIPLOGENIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O9 |
| InChI | InChI=1S/C28H42O9/c1-25-7-3-16(37-24-23(32)22(31)20(29)14-36-24)12-27(25,33)9-5-19-18(25)4-8-26(2)17(6-10-28(19,26)34)15-11-21(30)35-13-15/h11,16-20,22-24,29,31-34H,3-10,12-14H2,1-2H3/t16-,17+,18?,19?,20+,22-,23+,24-,25+,26+,27-,28-/m0/s1 |
| InChIKey | PJCAANBWOIEGPP-SILLNRRDSA-N |
| Literature Reference Author | T.M.WANG,T.HOJO,F.X.RAN,R.F.WANG,R.Q.WANG,H.B.CHEN,J.R.CUI,M .Y.SHANG,S.Q.CAI |
| Literature Reference Citation | J.NAT.PROD.,70,1429(2007) |
| Literature Reference DOI | 10.1021/np070150o |
| Molecular Weight | 522.636 g/mol |
| Sample ID | 31509 |
| Solvent | CD3OD |