Spektraris NMR
Lancifoic Acid A.
Common Name: Lancifoic Acid A.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-19(8-7-9-20(2)25(33)34)21-12-14-28(6)23-11-10-22(26(3,4)35)29(15-13-24(31)32)18-30(23,29)17-16-27(21,28)5/h9,19,21-23,35H,7-8,10-18H2,1-6H3,(H,31,32)(H,33,34)/b20-9-/t19-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=YLZNPKONASUZEQ-RRKDZSPHSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiao, W.L., Tian, R.R., Pu, J.X., Li, X., Wu, L., Lu, Y., Li, S.H., Li, R.T., Zheng, Y.T., Zheng, Q.T., Sun, H.D. J Nat Prod (2006) 69, 277-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 25.7 |
| 2 (CH2) | 33.5 |
| 3 (C) | 177.1 |
| 4 (C) | 75.2 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 28.6 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 46 |
| 9 (C) | 21.8 |
| 10 (C) | 27 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 36.3 |
| 13 (C) | 45.2 |
| 14 (C) | 49.3 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 31.4 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 32 |
| 23 (CH2) | 26.9 |
| 24 (CH) | 142.9 |
| 25 (C) | 128.7 |
| 26 (C) | 170.8 |
| 27 (CH3) | 21.6 |
| 28 (CH3) | 20.1 |
| 29 (CH3) | 26.9 |
| 30 (CH3) | 32 |
