Spektraris NMR
Lancifodilactone A
Common Name: Lancifodilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O10/c1-13-8-19(37-26(13)34)25-14(2)16-6-7-17-24-18(32)9-20-27(4,5)38-21-10-23(33)39-29(20,21)12-28(24,35)11-22(36-15(3)31)30(16,17)40-25/h7-8,14,16,18-22,24-25,32,35H,6,9-12H2,1-5H3/t14-,16+,18+,19-,20-,21+,22-,24+,25-,28-,29+,30-/m1/s1
InChIKey: InChIKey=KCDKJYKPKPRSLW-RVDPGXDSSA-N
Formula: C30H38O10
Molecular Weight: 558.617875
Exact Mass: 558.246497
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rong-Tao, L., Sheng-Hong, L., Qin-Shi, Z., Zhong-Wen, L., Han-Dong, S., Yang, L., Chen, W., Qi-Tai, Z. Tetrahedron Lett (2003) 44, 3531-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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 (CH) | 82.1 |
| 2 (CH2) | 36 |
| 3 (C) | 175.1 |
| 4 (C) | 84.5 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 34.6 |
| 7 (CH) | 69.8 |
| 8 (CH) | 50.8 |
| 9 (C) | 76 |
| 10 (C) | 98.7 |
| 11 (CH2) | 41.4 |
| 12 (CH) | 73.5 |
| 13 (C) | 95.8 |
| 14 (C) | 140.7 |
| 15 (CH) | 129.1 |
| 16 (CH2) | 31.7 |
| 17 (CH) | 45.6 |
| 19 (CH2) | 46.5 |
| 20 (CH) | 37.7 |
| 21 (CH3) | 12.4 |
| 22 (CH) | 82.9 |
| 23 (CH) | 81 |
| 24 (CH) | 146.9 |
| 25 (C) | 130.6 |
| 26 (C) | 174.1 |
| 27 (CH3) | 10.8 |
| 28 (CH3) | 22.7 |
| 29 (CH3) | 28.8 |
| 12a (C) | 170.4 |
| 12b (CH3) | 21.3 |
