Spektraris NMR
Kadcoccilactones E
Common Name: Kadcoccilactones E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O7/c1-15-12-20(34-25(15)32)24(31)16(2)17-6-7-18-19-8-9-21-26(3,4)35-22-13-23(30)36-29(21,22)14-28(19,33)11-10-27(17,18)5/h7,12,16-17,19-22,24,31,33H,6,8-11,13-14H2,1-5H3/t16-,17+,19-,20-,21-,22+,24-,27+,28-,29+/m0/s1
InChIKey: InChIKey=NBZDXWQJHKPYOE-HNBWECBUSA-N
Formula: C29H40O7
Molecular Weight: 500.624806
Exact Mass: 500.277404
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 (CH) | 82.2 |
| 2 (CH2) | 36.3 |
| 3 (C) | 175.2 |
| 4 (C) | 84.8 |
| 5 (CH) | 59.8 |
| 6 (CH2) | 27.4 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 48.9 |
| 9 (C) | 73.2 |
| 10 (C) | 99.8 |
| 11 (CH2) | 39.2 |
| 12 (CH2) | 35.9 |
| 13 (C) | 47.6 |
| 14 (C) | 153.2 |
| 15 (CH) | 119.4 |
| 16 (CH2) | 36.9 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 16.7 |
| 19 (CH2) | 45.8 |
| 20 (CH) | 40.6 |
| 21 (CH3) | 15.4 |
| 22 (CH) | 73.4 |
| 23 (CH) | 81.9 |
| 24 (CH) | 148.9 |
| 25 (C) | 130.3 |
| 26 (C) | 175 |
| 27 (CH3) | 10.7 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 22.7 |
