Spektraris NMR
Tomentoside I
Common Name: Tomentoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H56O9/c1-8-40-25-13-18(2)26-22(43-25)15-33(7)23-14-21(42-19(3)36)29-31(4,5)24(44-30-28(39)27(38)20(37)16-41-30)9-10-35(29)17-34(23,35)12-11-32(26,33)6/h18,20-30,37-39H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30+,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=SPRWRZLWRVMFBX-NNZXHWCDSA-N
Formula: C35H56O9
Molecular Weight: 620.815083
Exact Mass: 620.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.9 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 87.5 |
| 4 (C) | 42.2 |
| 5 (CH) | 56.5 |
| 6 (CH) | 70.2 |
| 7 (CH2) | 38.1 |
| 8 (CH) | 49.9 |
| 9 (C) | 20.9 |
| 10 (C) | 28.2 |
| 11 (CH2) | 26 |
| 12 (CH2) | 33 |
| 13 (C) | 44.8 |
| 14 (C) | 46 |
| 15 (CH2) | 43.3 |
| 16 (CH) | 70.4 |
| 17 (CH) | 44.5 |
| 18 (CH3) | 19.8 |
| 19 (CH2) | 27.8 |
| 20 (CH) | 25.6 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 99 |
| 28 (CH3) | 26.8 |
| 29 (CH3) | 19.3 |
| 30 (CH3) | 16.4 |
| 1' (CH) | 107 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.2 |
| 5' (CH2) | 67.2 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.7 |
| 23a (CH2) | 62.7 |
| 23b (CH3) | 15.4 |
