Spektraris NMR
tomentosic acid
Common Name: tomentosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23-,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=IFIQVSCCFRXSJV-GCVAJSGBSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mahato S. B., Nandy A. K., Luger P., Weber M. J Chem Soc, Perkin Trans 2 (1990) 0, 445
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 47.7 |
| 2 (CH) | 68.8 |
| 3 (CH) | 78.3 |
| 4 (C) | 43.5 |
| 5 (CH) | 48 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 33 |
| 8 (C) | 39.9 |
| 9 (CH) | 48 |
| 10 (C) | 38.3 |
| 11 (CH2) | 25.2 |
| 12 (CH) | 126.5 |
| 13 (C) | 139.5 |
| 14 (C) | 42.5 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 24 |
| 17 (C) | 48.5 |
| 18 (CH) | 49.5 |
| 19 (CH) | 75 |
| 20 (C) | 35.7 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 35 |
| 23 (CH2) | 66.7 |
| 24 (CH3) | 14.2 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 24.8 |
| 28 (C) | 179.2 |
| 29 (CH3) | 30.6 |
| 30 (CH3) | 17.8 |
