Spektraris NMR
Colossolactone B
Common Name: Colossolactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19-8-10-25(37-28(19)35)20(2)22-12-15-31(7)23-9-11-26-29(4,5)27(34)14-17-32(26,18-36-21(3)33)24(23)13-16-30(22,31)6/h8,20,22,25-27,34H,9-18H2,1-7H3/t20-,22+,25?,26-,27-,30+,31-,32-/m0/s1
InChIKey: InChIKey=OPECNRIVPMYGNT-GBMWFCEBSA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kleinwachter, P., Anh, N., Kiet, T.T., Schlegel, B., Dahse, H.M., Hartl, A., Grafe, U. J Nat Prod (2001) 64, 236-9
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) | 31.23 |
| 2 (CH2) | 27.72 |
| 3 (CH) | 78.66 |
| 4 (C) | 38.9 |
| 5 (CH) | 50.24 |
| 6 (CH2) | 17.62 |
| 7 (CH2) | 25.66 |
| 8 (C) | 137.14 |
| 9 (C) | 131.68 |
| 10 (C) | 39.63 |
| 11 (CH2) | 23 |
| 12 (CH2) | 31.01 |
| 13 (C) | 44.44 |
| 14 (C) | 50.24 |
| 15 (CH2) | 30.66 |
| 16 (CH2) | 27.62 |
| 17 (CH) | 45.77 |
| 18 (CH3) | 15.64 |
| 19 (CH2) | 67.78 |
| 20 (CH) | 40.42 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 80.24 |
| 23 (CH2) | 27.87 |
| 24 (CH) | 139.62 |
| 25 (C) | 128.22 |
| 26 (C) | 166.59 |
| 27 (CH3) | 17.11 |
| 28 (CH3) | 28.12 |
| 29 (CH3) | 15.53 |
| 30 (CH3) | 24.22 |
| 19a (C) | 171.07 |
| 19b (CH3) | 21.13 |
