Spektraris NMR
(24E)-3-Oxo-22-hydroxy-23-methylenedammara-20,24-dien-26-oic acid
Common Name: (24E)-3-Oxo-22-hydroxy-23-methylenedammara-20,24-dien-26-oic acid
Synonyms: (24E)-3-Oxo-22-hydroxy-23-methylenedammara-20,24-dien-26-oic acid
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(17-19(2)27(34)35)26(33)20(3)21-11-15-30(7)22(21)9-10-24-29(6)14-13-25(32)28(4,5)23(29)12-16-31(24,30)8/h17,21-24,26,33H,1,3,9-16H2,2,4-8H3,(H,34,35)/b19-17+/t21-,22-,23+,24-,26?,29+,30-,31-/m1/s1
InChIKey: InChIKey=KDXKUWDWVJEMJL-GVKDXQOYSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Estevez-Braun, A., Ravelo, A.G., Gonzalez, A.G. Tetrahedron (1997) 53, 6465-72
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) | 39.91 |
| 2 (CH2) | 34.08 |
| 3 (C) | 218.08 |
| 4 (C) | 47.39 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 19.61 |
| 7 (CH2) | 34.66 |
| 8 (C) | 40.34 |
| 9 (CH) | 50.18 |
| 10 (C) | 36.88 |
| 11 (CH2) | 21.78 |
| 12 (CH2) | 24.84 |
| 13 (CH) | 45.48 |
| 14 (C) | 49.38 |
| 15 (CH2) | 31.28 |
| 16 (CH2) | 28.93 |
| 17 (CH) | 47.83 |
| 18 (CH3) | 16.04 |
| 19 (CH3) | 15.3 |
| 20 (C) | 146.88 |
| 21 (CH2) | 111.11 |
| 22 (CH) | 79.98 |
| 23 (C) | 146.83 |
| 24 (CH) | 148.59 |
| 25 (C) | 130.1 |
| 26 (C) | 174 |
| 27 (CH3) | 10.67 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 21 |
| 30 (CH3) | 15.86 |
| 23a (CH2) | 111.31 |
