Spektraris NMR
7b,16b-Dihydroxy-1,23-dideoxyjessic acid
Common Name: 7b,16b-Dihydroxy-1,23-dideoxyjessic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)24-21(33)15-28(6)25-20(32)14-22-29(7,26(35)36)23(34)10-11-30(22)16-31(25,30)13-12-27(24,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20+,21+,22+,23+,24-,25+,27-,28+,29+,30-,31+/m1/s1
InChIKey: InChIKey=NMGCAUZQKXGUAO-OVPHTCQKSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gutierrez-Lugo, M.T., Singh, M.P., Maiese, W.M., Timmermann, B.N. J Nat Prod (2002) 65, 872-5
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) | 32.2 |
| 2 (CH2) | 30.3 |
| 3 (CH) | 76.1 |
| 4 (C) | 55.3 |
| 5 (CH) | 43.8 |
| 6 (CH2) | 33.7 |
| 7 (CH) | 70.7 |
| 8 (CH) | 55.2 |
| 9 (C) | 21.2 |
| 10 (C) | 26.9 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 33.8 |
| 13 (C) | 47.5 |
| 14 (C) | 46.8 |
| 15 (CH2) | 50.4 |
| 16 (CH) | 73.1 |
| 17 (CH) | 56.8 |
| 18 (CH3) | 18.5 |
| 19 (CH2) | 28.8 |
| 20 (CH) | 31.6 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 32.7 |
| 24 (C) | 158.1 |
| 25 (CH) | 35 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 22.4 |
| 28 (C) | 180.6 |
| 29 (CH3) | 9.8 |
| 30 (CH3) | 20 |
| 24a (CH2) | 106.6 |
