Spektraris NMR
Kadcoccilactones A
Common Name: Kadcoccilactones A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O7/c1-17-7-8-19(35-24(17)32)18(2)30(34)14-11-26(5)21-10-9-20-25(3,4)36-22-15-23(31)37-29(20,22)16-28(21,33)13-12-27(26,30)6/h7,18-22,33-34H,8-16H2,1-6H3/t18-,19+,20+,21+,22-,26+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=SHJXIADUURYPSM-LISQSKDTSA-N
Formula: C30H44O7
Molecular Weight: 516.667305
Exact Mass: 516.308704
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) | 81.9 |
| 2 (CH2) | 36.7 |
| 3 (C) | 175.3 |
| 4 (C) | 85.1 |
| 5 (CH) | 59.6 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 25.1 |
| 8 (CH) | 54.5 |
| 9 (C) | 73.1 |
| 10 (C) | 100 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 26.9 |
| 13 (C) | 52.5 |
| 14 (C) | 48.3 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 36.5 |
| 17 (C) | 84.9 |
| 18 (CH3) | 18.8 |
| 19 (CH2) | 48.1 |
| 20 (CH) | 43.9 |
| 21 (CH3) | 11.3 |
| 22 (CH) | 81.2 |
| 23 (CH2) | 28.5 |
| 24 (CH) | 142 |
| 25 (C) | 127.4 |
| 26 (C) | 166.9 |
| 27 (CH3) | 17 |
| 28 (CH3) | 29.6 |
| 29 (CH3) | 23.1 |
| 30 (CH3) | 20.3 |
