| SpectraBase Compound ID | 6jwhAj8GUzf |
|---|---|
| InChI | InChI=1S/C38H62O13/c1-17-8-11-37(47-15-17)19(3)38(45)27(51-37)14-24-22-7-6-20-12-21(39)13-26(36(20,5)23(22)9-10-35(24,38)4)49-34-32(29(42)25(40)16-46-34)50-33-31(44)30(43)28(41)18(2)48-33/h17-34,39-45H,6-16H2,1-5H3/t17-,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1 |
| InChIKey | WWVAYSFMVHHPMF-LZLWYCFISA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C38H62O13 |
| Exact Mass | 726.419042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOZS0630Hz7 |
|---|---|
| Name | REINECKIAGENOSIDE-B;(25S)-5-BETA-SPIROSTAN-1-BETA,3-BETA,17-ALPHA-TRIOL-1-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H62O13 |
| InChI | InChI=1S/C38H62O13/c1-17-8-11-37(47-15-17)19(3)38(45)27(51-37)14-24-22-7-6-20-12-21(39)13-26(36(20,5)23(22)9-10-35(24,38)4)49-34-32(29(42)25(40)16-46-34)50-33-31(44)30(43)28(41)18(2)48-33/h17-34,39-45H,6-16H2,1-5H3/t17-,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+/m0/s1 |
| InChIKey | WWVAYSFMVHHPMF-LZLWYCFISA-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 | 726.902 g/mol |
| Sample ID | 2614 |
| Solvent | C5D5N |