Spektraris NMR
Lycopodiin A
Common Name: Lycopodiin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)22-15-30(18-32)16-26(3)12-9-20-27(4,14-11-24(34)29(20,6)17-31)19(26)7-8-21(30)28(22,5)13-10-23(25)33/h18-24,31,33-34H,7-17H2,1-6H3/t19-,20+,21+,22-,23+,24+,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=HKGYIFYDUMOONS-ADSNNIJHSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yan, J., Zhang, X.M., Li, Z.R., Zhou, L., Chen, J.C., Sun, L.R., Qiu, M.H. Helv Chim Acta (2005) 88, 240-4
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) | 34.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 70.1 |
| 4 (C) | 44.3 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 45.3 |
| 8 (C) | 39.5 |
| 9 (CH) | 66.3 |
| 10 (C) | 38.7 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 29.5 |
| 13 (CH) | 50.6 |
| 14 (C) | 59.3 |
| 15 (CH) | 204.3 |
| 16 (CH2) | 35.3 |
| 17 (CH) | 46 |
| 18 (C) | 45.1 |
| 19 (CH2) | 33.7 |
| 20 (CH2) | 26.7 |
| 21 (CH) | 74.3 |
| 22 (C) | 37.4 |
| 23 (CH3) | 23.7 |
| 24 (CH2) | 65.6 |
| 25 (CH3) | 17.2 |
| 26 (CH3) | 22.8 |
| 27 (CH2) | 54.8 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 29.3 |
| 30 (CH3) | 22.8 |
