Spektraris NMR
(2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid
Common Name: (2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid
Synonyms: (2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=LJORXTIGOHMBOS-OTRVPSFMSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Taniguchi, S., Imayoshi, Y., Kobayashi, E., Takamatsu, Y., Ito, H., Hatano, T., Sakagami, H., Tokuda, H., Nishino, H., Sugita, D., Shimura, S., Yoshida, T. Phytochemistry (2002) 59, 315-23
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) | 50.1 |
| 2 (CH) | 69.8 |
| 3 (C) | 216.5 |
| 4 (C) | 48.1 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.9 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 127.6 |
| 13 (C) | 140.1 |
| 14 (C) | 42.2 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 26.3 |
| 17 (C) | 48.3 |
| 18 (CH) | 54.6 |
| 19 (C) | 72.7 |
| 20 (CH) | 42.4 |
| 21 (CH2) | 26.9 |
| 22 (CH2) | 38.5 |
| 23 (CH3) | 25.3 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 24.7 |
| 28 (C) | 180.6 |
| 29 (CH3) | 27.1 |
| 30 (CH3) | 15.9 |
