Spektraris NMR
(2b,3b,4a,16b)-2,3,16-Trihydroxy-15-oxo-28-norolean-12-en-23-oic Acid
Common Name: (2b,3b,4a,16b)-2,3,16-Trihydroxy-15-oxo-28-norolean-12-en-23-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O6/c1-25(2)11-9-15-16(13-25)17-7-8-19-26(3)14-18(30)22(32)28(5,24(34)35)20(26)10-12-27(19,4)29(17,6)23(33)21(15)31/h7,15-16,18-22,30-32H,8-14H2,1-6H3,(H,34,35)/t15-,16+,18-,19+,20+,21+,22-,26+,27+,28-,29-/m0/s1
InChIKey: InChIKey=PSSJSAXYGICONF-OYJNRZCUSA-N
Formula: C29H44O6
Molecular Weight: 488.657164
Exact Mass: 488.313789
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Niu, X.M., Li, S.H., Zhao, Q.S., Mei, S.X., Lin, Z.W., Sun, H.D., Lu, Y., Wang, C., Zheng, Q.T. Helv Chim Acta (2003) 86, 299-306
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) | 45.3 |
| 2 (CH) | 71.7 |
| 3 (CH) | 75.9 |
| 4 (C) | 53.9 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 36.3 |
| 8 (C) | 42.2 |
| 9 (CH) | 48 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 125.3 |
| 13 (C) | 142.3 |
| 14 (C) | 54.7 |
| 15 (C) | 214.8 |
| 16 (CH) | 76.1 |
| 17 (CH) | 44.2 |
| 18 (CH) | 46 |
| 19 (CH2) | 47 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 20.7 |
| 23 (C) | 181 |
| 24 (CH3) | 13.9 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 20.6 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.3 |
