Spektraris NMR
Kadcoccilactone P
Common Name: Kadcoccilactone P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O7/c1-16-7-8-20(35-24(16)32)18(3)28(33)14-13-27(6)19(17(28)2)15-29(34)22(27)10-9-21-26(4,5)36-23(31)11-12-30(21)25(29)37-30/h7,11-12,18-22,25,33-34H,2,8-10,13-15H2,1,3-6H3/t18-,19-,20+,21-,22-,25+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=RKMYXEBXNYIKFQ-VDBMUVGZSA-N
Formula: C30H40O7
Molecular Weight: 512.635542
Exact Mass: 512.277404
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gao, X.M., Pu, J.X., Xiao, W.L., Huang, S.X., Lou, L.G., Sun, H.D. Tetrahedron (2008) 64, 11673-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 145 |
| 2 (CH) | 126.2 |
| 3 (C) | 165.6 |
| 4 (C) | 81.5 |
| 5 (CH) | 49.8 |
| 6 (CH2) | 26.6 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 55.6 |
| 9 (C) | 78.1 |
| 10 (C) | 62.6 |
| 11 (CH2) | 48 |
| 12 (CH) | 54.6 |
| 13 (C) | 153.2 |
| 14 (C) | 43.8 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 35.1 |
| 17 (C) | 75.4 |
| 18 (CH2) | 115.3 |
| 19 (CH) | 66.6 |
| 20 (CH) | 43.5 |
| 21 (CH3) | 9.6 |
| 22 (CH) | 79.6 |
| 23 (CH2) | 27.3 |
| 24 (CH) | 141.3 |
| 25 (C) | 127.6 |
| 26 (C) | 166.5 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.3 |
| 29 (CH3) | 24.9 |
| 30 (CH3) | 25.4 |
