Spektraris NMR
Kadcoccilactone R
Common Name: Kadcoccilactone R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18-8-10-23(35-26(18)33)19(2)20-12-16-30(7)22-9-11-24(27(3,4)34)28(5,15-14-25(31)32)21(22)13-17-29(20,30)6/h8,19-20,23-24,34H,9-17H2,1-7H3,(H,31,32)/t19-,20+,23+,24-,28+,29+,30-/m0/s1
InChIKey: InChIKey=LMDWUSSCAMEIBX-QSXIDIMJSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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 : Lanostanes; 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 (CH2) | 34.2 |
| 2 (CH2) | 30.7 |
| 3 (C) | 177.6 |
| 4 (C) | 74.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 27.2 |
| 8 (C) | 139 |
| 9 (C) | 131.8 |
| 10 (C) | 43.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 31.6 |
| 13 (C) | 44.9 |
| 14 (C) | 50.9 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 46.7 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 22.4 |
| 20 (CH) | 39.8 |
| 21 (CH3) | 13.6 |
| 22 (CH) | 80.4 |
| 23 (CH2) | 23.6 |
| 24 (CH) | 140.1 |
| 25 (C) | 128.1 |
| 26 (C) | 166.3 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 33.6 |
| 30 (CH3) | 24.9 |
