Spektraris NMR
Lycernuic acid C
Common Name: Lycernuic acid C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H58O11/c1-21(39)46-20-36(8)28-18-31(49-24(4)42)38(45)19-33(5)15-12-26-34(6,17-14-30(48-23(3)41)37(26,9)32(43)44)25(33)10-11-27(38)35(28,7)16-13-29(36)47-22(2)40/h25-31,45H,10-20H2,1-9H3,(H,43,44)/t25-,26+,27+,28+,29+,30-,31-,33-,34+,35+,36+,37+,38+/m0/s1
InChIKey: InChIKey=VMXISGBTRUTHGY-OSCPPJABSA-N
Formula: C38H58O11
Molecular Weight: 690.861982
Exact Mass: 690.397913
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) | 39.9 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 80.2 |
| 4 (C) | 49.3 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 46.2 |
| 8 (C) | 38 |
| 9 (CH) | 61.5 |
| 10 (C) | 39.3 |
| 11 (CH2) | 24.8 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 59.1 |
| 14 (C) | 76.8 |
| 15 (CH) | 80 |
| 16 (CH2) | 24.9 |
| 17 (CH) | 48.9 |
| 18 (C) | 39 |
| 19 (CH2) | 33.8 |
| 20 (CH2) | 23.3 |
| 21 (CH) | 73.6 |
| 22 (C) | 41.5 |
| 23 (CH3) | 25.7 |
| 24 (C) | 180.4 |
| 25 (CH3) | 14.9 |
| 26 (CH3) | 21.9 |
| 27 (CH2) | 55.5 |
| 28 (CH3) | 16.8 |
| 29 (CH2) | 66.8 |
| 30 (CH3) | 22.4 |
| 3a (C) | 171.8 |
| 3b (CH3) | 21.6 |
| 15a (C) | 171 |
| 15b (CH3) | 21.4 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.4 |
| 29a (C) | 171.3 |
| 29b (CH3) | 20.9 |
