Spektraris NMR
Lycernuic acid C
Common Name: Lycernuic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O7/c1-25-11-8-18-26(2,13-10-22(33)29(18,5)24(35)36)17(25)6-7-19-27(3)12-9-21(32)28(4,16-31)20(27)14-23(34)30(19,37)15-25/h17-23,31-34,37H,6-16H2,1-5H3,(H,35,36)/t17-,18+,19+,20+,21+,22-,23-,25-,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=GXXMOCUQFZJZRW-MEWBIXJBSA-N
Formula: C30H50O7
Molecular Weight: 522.714949
Exact Mass: 522.355654
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) | 39.4 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 78.4 |
| 4 (C) | 49.7 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 21.7 |
| 7 (CH2) | 44.7 |
| 8 (C) | 38 |
| 9 (CH) | 59.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 59 |
| 14 (C) | 78.2 |
| 15 (CH) | 77 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 47.3 |
| 18 (C) | 39 |
| 19 (CH2) | 34.1 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 70.2 |
| 22 (C) | 44.3 |
| 23 (CH3) | 24.8 |
| 24 (C) | 183.9 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 23.3 |
| 27 (CH2) | 54.4 |
| 28 (CH3) | 17.2 |
| 29 (CH2) | 65.9 |
| 30 (CH3) | 23.9 |
