Spektraris NMR
Kadcoccilactones B
Common Name: Kadcoccilactones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-16-6-7-19(34-24(16)31)17(2)18-10-11-29(33)21-9-8-20-25(3,4)35-22-14-23(30)36-28(20,22)15-27(21,32)13-12-26(18,29)5/h6,17-22,32-33H,7-15H2,1-5H3/t17-,18-,19-,20-,21+,22+,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=UCYIJPSZTKEWLZ-CAQIMXKKSA-N
Formula: C29H42O7
Molecular Weight: 502.640687
Exact Mass: 502.293054
NMR Solvent: p
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 (CH) | 81.8 |
| 2 (CH2) | 36.3 |
| 3 (C) | 175.3 |
| 4 (C) | 84.7 |
| 5 (CH) | 60 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 23.9 |
| 8 (CH) | 55.9 |
| 9 (C) | 73.4 |
| 10 (C) | 100.1 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 39.2 |
| 13 (C) | 47.3 |
| 14 (C) | 84.6 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 34 |
| 17 (CH) | 54.3 |
| 18 (CH3) | 17.2 |
| 19 (CH2) | 47 |
| 20 (CH) | 38.7 |
| 21 (CH3) | 15.4 |
| 22 (CH) | 80.7 |
| 23 (CH2) | 24.6 |
| 24 (CH) | 140.3 |
| 25 (C) | 128 |
| 26 (C) | 166.4 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 22.6 |
