Spektraris NMR
Deacetyltomentoside I
Common Name: Deacetyltomentoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O8/c1-7-38-23-12-17(2)24-20(40-23)14-31(6)21-13-18(34)27-29(3,4)22(41-28-26(37)25(36)19(35)15-39-28)8-9-33(27)16-32(21,33)11-10-30(24,31)5/h17-28,34-37H,7-16H2,1-6H3/t17-,18+,19-,20+,21+,22+,23-,24+,25+,26-,27+,28+,30-,31+,32+,33-/m1/s1
InChIKey: InChIKey=ALNVNVITMZYFHZ-DFZPLMRTSA-N
Formula: C33H54O8
Molecular Weight: 578.778325
Exact Mass: 578.381869
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) | 32.4 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 88.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 56.7 |
| 6 (CH) | 67.1 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 53.9 |
| 9 (C) | 21.2 |
| 10 (C) | 29.2 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 33.3 |
| 13 (C) | 44.8 |
| 14 (C) | 46.1 |
| 15 (CH2) | 43.5 |
| 16 (CH) | 70.6 |
| 17 (CH) | 46.2 |
| 18 (CH3) | 20.2 |
| 19 (CH2) | 29.6 |
| 20 (CH) | 25.6 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 33.3 |
| 23 (CH) | 99.1 |
| 28 (CH3) | 19.5 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 16.6 |
| 1' (CH) | 107.7 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.4 |
| 23a (CH2) | 62.7 |
| 23b (CH3) | 15.7 |
