Spektraris NMR
6b-Hydroxytormenic acid
Common Name: 6b-Hydroxytormenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-16-10-11-30(24(34)35)13-12-27(5)17(21(30)29(16,7)36)8-9-20-26(4)14-19(32)23(33)25(2,3)22(26)18(31)15-28(20,27)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18-,19-,20-,21-,22+,23+,26-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=GHOXXFFSDRKSPC-NPZWKMEDSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gopalsamy N., Vargas D., Guebo J., Ricaud C., Hostettmann K. Phytochemistry (1988) 27, 3593
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 50.3 |
| 2 (CH) | 69.6 |
| 3 (CH) | 84.7 |
| 4 (C) | 57.4 |
| 5 (CH) | 38.8 |
| 6 (CH) | 68.8 |
| 7 (CH2) | 41.8 |
| 8 (C) | 41.2 |
| 9 (CH) | 49 |
| 10 (C) | 40.3 |
| 11 (CH2) | 24.7 |
| 12 (CH) | 129.6 |
| 13 (C) | 139.4 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 27.8 |
| 17 (C) | 49.7 |
| 18 (CH) | 55.1 |
| 19 (C) | 73.6 |
| 20 (CH) | 43.1 |
| 21 (CH2) | 26.6 |
| 22 (CH2) | 39 |
| 23 (CH3) | 29 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 18.5 |
| 26 (CH3) | 18.8 |
| 27 (CH3) | 24.8 |
| 28 (C) | 182.2 |
| 29 (CH3) | 27.1 |
| 30 (CH3) | 18.5 |
