Spektraris NMR
Myriceric acid C
Common Name: Myriceric acid C
Synonyms: Myriceric acid C
CAS Registry Number:
InChI: InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1
InChIKey: InChIKey=OQOHHYHCCUJBHE-HQEPTUIISA-N
Formula: C48H60O10
Molecular Weight: 796.985818
Exact Mass: 796.418648
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jiang, Z.H., Tanaka, T., Kouno, I. Phytochemistry (1995) 40, 1223-6
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 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 82.2 |
| 4 (C) | 39.4 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 34.7 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 38.3 |
| 11 (CH2) | 24.7 |
| 12 (CH) | 128.1 |
| 13 (C) | 139 |
| 14 (C) | 46.7 |
| 15 (CH2) | 25.1 |
| 16 (CH2) | 23.9 |
| 17 (C) | 47.3 |
| 18 (CH) | 42.5 |
| 19 (CH2) | 46.2 |
| 20 (C) | 31.5 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 33.5 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.9 |
| 27 (CH2) | 66.6 |
| 28 (C) | 181.6 |
| 29 (CH3) | 33.7 |
| 30 (CH3) | 24.1 |
| 3a (C) | 169.2 |
| 3b (CH) | 115.6 |
| 3c (CH) | 146.8 |
| 3d (C) | 127.7 |
| 3e (CH) | 115.1 |
| 3f (C) | 147 |
| 3g (C) | 149.6 |
| 3h (CH) | 116.5 |
| 3i (CH) | 122.9 |
| 27a (C) | 168.8 |
| 27b (CH) | 115.4 |
| 27c (CH) | 146.7 |
| 27d (C) | 127.8 |
| 27e (CH) | 115.1 |
| 27f (C) | 147 |
| 27g (C) | 149.5 |
| 27h (CH) | 116.6 |
| 27i (CH) | 122.9 |
