| SpectraBase Compound ID | 5nT4LVoH9vh |
|---|---|
| InChI | InChI=1S/C35H56O7/c1-19-26(36)27(37)28(38)29(41-19)42-25-12-14-34(7)23(32(25,4)5)11-13-33(6)21-10-15-35(30(39)40)17-16-31(2,3)18-22(35)20(21)8-9-24(33)34/h19,22-29,36-38H,8-18H2,1-7H3,(H,39,40)/t19-,22-,23-,24-,25-,26-,27+,28+,29-,33-,34-,35+/m0/s1 |
| InChIKey | OFFCNBAVUQWPCF-QVPKUXRDSA-N |
| Mol Weight | 588.8 g/mol |
| Molecular Formula | C35H56O7 |
| Exact Mass | 588.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44d92Y439Q |
|---|---|
| Name | PYROCINCHOLIC-ACID-3-BETA-O-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O7 |
| InChI | InChI=1S/C35H56O7/c1-19-26(36)27(37)28(38)29(41-19)42-25-12-14-34(7)23(32(25,4)5)11-13-33(6)21-10-15-35(30(39)40)17-16-31(2,3)18-22(35)20(21)8-9-24(33)34/h19,22-29,36-38H,8-18H2,1-7H3,(H,39,40)/t19-,22-,23-,24-,25-,26-,27+,28+,29-,33-,34-,35+/m0/s1 |
| InChIKey | OFFCNBAVUQWPCF-QVPKUXRDSA-N |
| Literature Reference Author | S.FANG,Z.HE,G.FAN,H.WU,J.XU |
| Literature Reference Citation | J.NAT.PROD.,59,304(1996) |
| Literature Reference DOI | 10.1021/np960158q |
| Molecular Weight | 588.825 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP2366 |