Spektraris NMR
(24Z)-3-Oxodammara-20(21),24-diene-27-oic acid
Common Name: (24Z)-3-Oxodammara-20(21),24-diene-27-oic acid
Synonyms: (24Z)-3-Oxodammara-20(21),24-diene-27-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-29(6)22(21)11-12-24-28(5)16-15-25(31)27(3,4)23(28)14-18-30(24,29)7/h10,21-24H,1,8-9,11-18H2,2-7H3,(H,32,33)/b20-10-/t21-,22-,23+,24-,28+,29-,30-/m1/s1
InChIKey: InChIKey=QNJHRCQOBKVGIP-DTEMIKRFSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torpocco, V., Chávez, H., Estévez-Braun, A., Ravelo, A.G. Chem Pharm Bull (2007) 55, 812-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.3 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.3 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 34.7 |
| 8 (C) | 40.4 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 45.5 |
| 14 (C) | 49.4 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 47.4 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 15.3 |
| 20 (C) | 151.6 |
| 21 (CH2) | 111.8 |
| 22 (CH2) | 33.7 |
| 23 (CH2) | 28.9 |
| 24 (CH) | 146.2 |
| 25 (C) | 137.8 |
| 26 (CH3) | 20.5 |
| 27 (C) | 172.2 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21 |
| 30 (CH3) | 16 |
