Spektraris NMR
bis(Sulfato)-rycloszphonodirtyol A
Common Name: bis(Sulfato)-rycloszphonodirtyol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7S2.2Na/c1-20(2)9-5-10-21(3)18(20)8-11-22(4)19(21)12-14-15(13-27-22)17(29-31(25)26)7-6-16(14)28-30(23)24;;/h6-7,18-19H,5,8-13H2,1-4H3;;/t18-,19+,21-,22+;;/m0../s1
InChIKey: InChIKey=XXZVGXAMBHHRKB-GHNYVLBUSA-N
Formula: C22H34N2O7S2
Molecular Weight: 502.647665
Exact Mass: 502.180743
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Killday, K.B., Wright, A.E., Jackson, R.H., Sills, M.A. J Nat Prod (1995) 58, 958-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 40.7 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 41.2 |
| 8 (C) | 81.2 |
| 9 (CH) | 59.2 |
| 10 (C) | 40.1 |
| 11 (CH2) | 23.7 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 33.8 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 16.2 |
| 1' (C) | 138.2 |
| 2' (C) | 148.3 |
| 3' (CH) | 122 |
| 4' (CH) | 121.1 |
| 5' (C) | 147.6 |
| 6' (C) | 136 |
| 7' (CH2) | 59.3 |
