Spektraris NMR
Tomentoside V
Common Name: Tomentoside V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O14/c1-8-49-27-13-19(2)28-23(52-27)15-39(7)25-14-22(51-20(3)43)34-37(4,5)26(9-10-41(34)18-40(25,41)12-11-38(28,39)6)54-36-33(29(45)21(44)17-50-36)55-35-32(48)31(47)30(46)24(16-42)53-35/h19,21-36,42,44-48H,8-18H2,1-7H3/t19-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38-,39+,40+,41-/m1/s1
InChIKey: InChIKey=AAVVDLGPMLXVHE-IHUYPVALSA-N
Formula: C41H66O14
Molecular Weight: 782.955931
Exact Mass: 782.445257
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Radwan, M.M., Farooq, A., El-Sebakhy, N.A., Asaad, A.M., Toaima, S.M., Kingston, D.G. J Nat Prod (2004) 67, 487-90
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) | 31.8 |
| 2 (CH2) | 30 |
| 3 (CH) | 87.4 |
| 4 (C) | 42.3 |
| 5 (CH) | 56.5 |
| 6 (CH) | 70.2 |
| 7 (CH2) | 38.1 |
| 8 (CH) | 49.8 |
| 9 (C) | 21 |
| 10 (C) | 28 |
| 11 (CH2) | 26 |
| 12 (CH2) | 32.9 |
| 13 (C) | 44.2 |
| 14 (C) | 46 |
| 15 (CH2) | 43.2 |
| 16 (CH) | 70.5 |
| 17 (CH) | 44.8 |
| 18 (CH3) | 19.8 |
| 19 (CH2) | 27.5 |
| 20 (CH) | 25.6 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 33.2 |
| 23 (CH) | 99.1 |
| 28 (CH3) | 19.3 |
| 29 (CH3) | 26.8 |
| 30 (CH3) | 16.3 |
| 1' (CH) | 106.3 |
| 2' (CH) | 83.6 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71 |
| 5' (CH2) | 66.8 |
| 1'' (CH) | 105.6 |
| 2'' (CH) | 77.1 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 70.2 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.7 |
| 23a (CH2) | 62.7 |
| 23b (CH3) | 15.7 |
