| SpectraBase Compound ID | L7wrkf7D1dV |
|---|---|
| InChI | InChI=1S/C32H52O9/c1-16-7-10-31(39-14-16)17(2)32(37)25(41-31)13-22-20-6-5-18-11-19(33)12-24(30(18,4)21(20)8-9-29(22,32)3)40-28-27(36)26(35)23(34)15-38-28/h16-28,33-37H,5-15H2,1-4H3/t16-,17+,18+,19+,20+,21-,22-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+/m0/s1 |
| InChIKey | HPPAOQWPZGNPAH-KSYXHFCKSA-N |
| Mol Weight | 580.8 g/mol |
| Molecular Formula | C32H52O9 |
| Exact Mass | 580.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMmhiKSoLUC |
|---|---|
| Name | REINECKIAGENOSIDE-A;(25S)-5-BETA-SPIROSTAN-1-BETA,3-BETA,17-ALPHA-TRIOL-1-O-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H52O9 |
| InChI | InChI=1S/C32H52O9/c1-16-7-10-31(39-14-16)17(2)32(37)25(41-31)13-22-20-6-5-18-11-19(33)12-24(30(18,4)21(20)8-9-29(22,32)3)40-28-27(36)26(35)23(34)15-38-28/h16-28,33-37H,5-15H2,1-4H3/t16-,17+,18+,19+,20+,21-,22-,23-,24+,25-,26+,27-,28+,29-,30-,31+,32+/m0/s1 |
| InChIKey | HPPAOQWPZGNPAH-KSYXHFCKSA-N |
| Literature Reference Author | Z.Q.ZHANG,J.C.CHEN,J.YAN,M.H.QIU |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,53(2011) |
| Literature Reference DOI | 10.1248/cpb.59.53 |
| Molecular Weight | 580.759 g/mol |
| Sample ID | 2613 |
| Solvent | C5D5N |