Spektraris NMR
Lycernuic acid B
Common Name: Lycernuic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-26-13-10-22-28(3,15-12-24(33)30(22,5)25(34)35)20(26)9-7-19-18(16-26)6-8-21-27(19,2)14-11-23(32)29(21,4)17-31/h6,19-24,31-33H,7-17H2,1-5H3,(H,34,35)/t19-,20-,21+,22+,23+,24-,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ISFIVPSZFJMIOJ-LTVWIFDFSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
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) | 40 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 78.4 |
| 4 (C) | 49.7 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 46 |
| 8 (C) | 37.6 |
| 9 (CH) | 62.9 |
| 10 (C) | 39.2 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 28.1 |
| 13 (CH) | 57.8 |
| 14 (C) | 139.2 |
| 15 (CH) | 123.3 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 45.1 |
| 18 (C) | 36.7 |
| 19 (CH2) | 32.2 |
| 20 (CH2) | 26.2 |
| 21 (CH) | 70.1 |
| 22 (C) | 43.8 |
| 23 (CH3) | 25 |
| 24 (C) | 181 |
| 25 (CH3) | 14.6 |
| 26 (CH3) | 20.1 |
| 27 (CH2) | 57.1 |
| 28 (CH3) | 15 |
| 29 (CH2) | 65.4 |
| 30 (CH3) | 23.3 |
