| SpectraBase Compound ID | 4amDAqkmw2D |
|---|---|
| InChI | InChI=1S/C44H58N2O18/c1-5-20-22(26(39(55)57-3)18-59-41(20)63-43-37(53)35(51)33(49)30(16-47)61-43)11-13-46-14-12-24-23-9-7-8-10-28(23)45-32(24)29(46)15-25-21(6-2)42(60-19-27(25)40(56)58-4)64-44-38(54)36(52)34(50)31(17-48)62-44/h5-10,18-22,25,29-31,33-38,41-45,47-54H,1-2,11-17H2,3-4H3/t20-,21+,22+,25-,29-,30-,31+,33-,34+,35+,36-,37-,38+,41+,42-,43+,44-/m0/s1 |
| InChIKey | LQIRTDPVBLPFPL-XCGLVDQZSA-N |
| Mol Weight | 902.9 g/mol |
| Molecular Formula | C44H58N2O18 |
| Exact Mass | 902.368463 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 | G9vGWNAzMgb |
|---|---|
| Name | BAHIENOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58N2O18 |
| InChI | InChI=1S/C44H58N2O18/c1-5-20-22(26(39(55)57-3)18-59-41(20)63-43-37(53)35(51)33(49)30(16-47)61-43)11-13-46-14-12-24-23-9-7-8-10-28(23)45-32(24)29(46)15-25-21(6-2)42(60-19-27(25)40(56)58-4)64-44-38(54)36(52)34(50)31(17-48)62-44/h5-10,18-22,25,29-31,33-38,41-45,47-54H,1-2,11-17H2,3-4H3/t20-,21+,22+,25-,29-,30-,31+,33-,34+,35+,36-,37-,38+,41+,42-,43+,44-/m0/s1 |
| InChIKey | LQIRTDPVBLPFPL-XCGLVDQZSA-N |
| Literature Reference Author | J.H.A.PAUL,A.R.MAXWELL,W.F.REYNOLDS |
| Literature Reference Citation | J.NAT.PROD.,66,752(2003) |
| Literature Reference DOI | 10.1021/np020554a |
| Molecular Weight | 902.947 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI7826 |