Spektraris NMR
Kadcoccilactones F
Common Name: Kadcoccilactones F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O10/c1-15-11-20(39-26(15)35)25(34)16(2)18-12-23(38-17(3)32)28(6)19(18)9-10-29(36)14-30-21(7-8-22(28)29)27(4,5)41-31(30,37)13-24(33)40-30/h15-16,20-23,25,34,36-37H,7-14H2,1-6H3/t15-,16-,20-,21-,22-,23-,25-,28-,29-,30+,31+/m0/s1
InChIKey: InChIKey=AUPPZHFOVAGCDF-DAVIGNLWSA-N
Formula: C31H44O10
Molecular Weight: 576.676255
Exact Mass: 576.293448
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Huang, S.X., Lu, Y., Lou, L.G., Li, R.T., Xiao, W.L., Chang, Y., Sun, H.D. J Nat Prod (2008) 71, 1182-8
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 (C) | 109 |
| 2 (CH2) | 43 |
| 3 (C) | 173.6 |
| 4 (C) | 85 |
| 5 (CH) | 61.3 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 57.2 |
| 9 (C) | 73.4 |
| 10 (C) | 99.7 |
| 11 (CH2) | 40.7 |
| 12 (CH2) | 18 |
| 13 (C) | 138.6 |
| 14 (C) | 53.3 |
| 15 (CH) | 81.5 |
| 16 (CH2) | 39.4 |
| 17 (C) | 132.1 |
| 18 (CH3) | 24 |
| 19 (CH2) | 44.8 |
| 20 (CH) | 35 |
| 21 (CH3) | 16.5 |
| 22 (CH) | 76.3 |
| 23 (CH) | 79.2 |
| 24 (CH2) | 33.2 |
| 25 (CH) | 34.7 |
| 26 (C) | 180.8 |
| 27 (CH3) | 16.4 |
| 28 (CH3) | 30.9 |
| 29 (CH3) | 26.2 |
| 15a (C) | 169.7 |
| 15b (CH3) | 21.6 |
