Spektraris NMR
Lycernuic acid A
Common Name: Lycernuic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-20(35)39-27-14-17-32(6)23-10-12-25-31(5,19-22(23)9-11-24(32)30(27,3)4)16-13-26-33(25,7)18-15-28(40-21(2)36)34(26,8)29(37)38/h9,23-28H,10-19H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,27+,28-,31-,32+,33+,34+/m0/s1
InChIKey: InChIKey=UYVNNJBTWBXJBQ-MWOCCTSQSA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. J Nat Prod (2002) 65, 979-85
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 25.2 |
| 3 (CH) | 80.2 |
| 4 (C) | 49.1 |
| 5 (CH) | 57.1 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 45.6 |
| 8 (C) | 37.5 |
| 9 (CH) | 62.8 |
| 10 (C) | 39.1 |
| 11 (CH2) | 25.8 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 57.4 |
| 14 (C) | 139.1 |
| 15 (CH) | 122.8 |
| 16 (CH2) | 24.5 |
| 17 (CH) | 45.1 |
| 18 (C) | 36.5 |
| 19 (CH2) | 32.4 |
| 20 (CH2) | 23.6 |
| 21 (CH) | 78.4 |
| 22 (C) | 37.1 |
| 23 (CH3) | 24.5 |
| 24 (C) | 177.6 |
| 25 (CH3) | 14.3 |
| 26 (CH3) | 20.1 |
| 27 (CH2) | 56.8 |
| 28 (CH3) | 13.7 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 27.6 |
| 3a (C) | 171.5 |
| 3b (CH3) | 21.6 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.4 |
