Spektraris NMR
Lycernuic acid D
Common Name: Lycernuic acid D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O6/c1-25(2)20-15-23(33)30(36)16-26(3)12-9-18-27(4,14-11-22(32)29(18,6)24(34)35)17(26)7-8-19(30)28(20,5)13-10-21(25)31/h17-23,31-33,36H,7-16H2,1-6H3,(H,34,35)/t17-,18+,19+,20-,21+,22-,23-,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ORVFBSHSHRRDSR-DEIFGSSYSA-N
Formula: C30H50O6
Molecular Weight: 506.715544
Exact Mass: 506.360739
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) | 30.5 |
| 3 (CH) | 78.9 |
| 4 (C) | 49.5 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 22 |
| 7 (CH2) | 45.5 |
| 8 (C) | 38 |
| 9 (CH) | 59.7 |
| 10 (C) | 39.3 |
| 11 (CH2) | 26 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 59.5 |
| 14 (C) | 78.1 |
| 15 (CH) | 76.7 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 46.5 |
| 18 (C) | 39 |
| 19 (CH2) | 33.7 |
| 20 (CH2) | 26.1 |
| 21 (CH) | 75.3 |
| 22 (C) | 38.2 |
| 23 (CH3) | 26.1 |
| 24 (C) | 183.3 |
| 25 (CH3) | 15.2 |
| 26 (CH3) | 23 |
| 27 (CH2) | 54.9 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 29.5 |
