Spektraris NMR
13-Sulfo-dihydroreynosin
Common Name: 13-Sulfo-dihydroreynosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h9-13,16H,1,3-7H2,2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1
InChIKey: InChIKey=ATPWMNVNRJVOBH-DMLGPZFASA-N
Formula: C15H22O6S1
Molecular Weight: 330.398249
Exact Mass: 330.113709
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, H.Q., Fu, H.W., Hua, H.M., Qi, X.L., Li, W., Sha, Y., Pei, Y.H. Chem Pharm Bull (2005) 53, 841-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 77.4 |
| 2 (CH2) | 36.9 |
| 3 (CH2) | 34.3 |
| 4 (C) | 145.1 |
| 5 (CH) | 50.8 |
| 6 (CH) | 80 |
| 7 (CH) | 52.9 |
| 8 (CH2) | 24.1 |
| 9 (CH2) | 32.3 |
| 10 (C) | 43.5 |
| 11 (CH) | 44.4 |
| 12 (C) | 179 |
| 13 (CH2) | 51.2 |
| 14 (CH3) | 12.1 |
| 15 (CH2) | 109.4 |
