Spektraris NMR
3,11-dioxoolean-12-en-28-oic acid
Common Name: 3,11-dioxoolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=VDDPQVQCXWFZJM-WTRJLLKISA-N
Formula: C30H44O4
Molecular Weight: 468.66909
Exact Mass: 468.32396
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukuda, Y., Yamada, T., Wada, S.I., Sakai, K., Matsunaga, S., Tanaka, R. J Nat Prod (2006) 69, 142-4
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) | 39.7 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.2 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.2 |
| 8 (C) | 44.8 |
| 9 (CH) | 61 |
| 10 (C) | 36.8 |
| 11 (C) | 199.6 |
| 12 (CH) | 127.9 |
| 13 (C) | 168.8 |
| 14 (C) | 43.6 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 22.6 |
| 17 (C) | 46 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 44.1 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 31.5 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.3 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 23.5 |
| 28 (C) | 183 |
| 29 (CH3) | 32.8 |
| 30 (CH3) | 23.4 |
