Spektraris NMR
Ananosic acid C
Common Name: Ananosic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(9-8-10-19(2)27(32)33)21-13-15-30(7)22-11-12-24-28(4,5)25(31)14-16-29(24,6)23(22)17-20(3)26(21)30/h10-11,18,21,23-24,26H,3,8-9,12-17H2,1-2,4-7H3,(H,32,33)/b19-10-/t18-,21-,23?,24+,26?,29-,30+/m1/s1
InChIKey: InChIKey=XDDHMJIDSMQIEG-MCYZPYFWSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.G., Hai, L.N., Liao, X.R., Qin, G.W., Xie, Y.Y., Halaweish, F. J Nat Prod (2004) 67, 875-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.8 |
| 2 (CH2) | 34.8 |
| 3 (C) | 216.8 |
| 4 (C) | 47.5 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 113.9 |
| 8 (C) | 151.5 |
| 9 (CH) | 50.4 |
| 10 (C) | 34.3 |
| 11 (CH2) | 30.4 |
| 12 (C) | 150.3 |
| 13 (CH) | 50.4 |
| 14 (C) | 43.6 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 24.5 |
| 17 (CH) | 47.5 |
| 18 (CH2) | 111.3 |
| 19 (CH3) | 22.6 |
| 20 (CH) | 31.2 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 26.7 |
| 24 (CH) | 146.8 |
| 25 (C) | 126.2 |
| 26 (C) | 173.3 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 23.9 |
