Spektraris NMR
Botryolin A
Common Name: Botryolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H60O3/c1-23(2)25(5)15-19-31(9)27(7)17-21-33(11,36-31)29-13-14-30(35-29)34(12)22-18-28(8)32(10,37-34)20-16-26(6)24(3)4/h25-30H,1,3,13-22H2,2,4-12H3/t25?,26?,27-,28+,29-,30+,31+,32-,33-,34-/m0/s1
InChIKey: InChIKey=MFRQZVAPWAKQJT-RZHBVYEISA-N
Formula: C34H60O3
Molecular Weight: 516.839681
Exact Mass: 516.454246
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Metzger, P., Rager, M.N., Largeau, C. Phytochemistry (2002) 59, 839-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) | 18.8 |
| 2 (C) | 150.6 |
| 3 (CH) | 41.7 |
| 4 (CH2) | 28.1 |
| 5 (CH2) | 40.2 |
| 6 (C) | 76.8 |
| 7 (CH) | 35.9 |
| 8 (CH2) | 24.4 |
| 9 (CH2) | 33 |
| 10 (C) | 74.4 |
| 11 (CH) | 81.4 |
| 12 (CH2) | 26.3 |
| 13 (CH2) | 26.1 |
| 14 (CH) | 88 |
| 15 (C) | 73.9 |
| 16 (CH2) | 33.8 |
| 17 (CH2) | 24.6 |
| 18 (CH) | 37 |
| 19 (C) | 76.1 |
| 20 (CH2) | 40.5 |
| 21 (CH2) | 27.9 |
| 22 (CH) | 41.7 |
| 23 (C) | 150.6 |
| 24 (CH3) | 18.7 |
| 25 (CH2) | 109.4 |
| 26 (CH3) | 22.8 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 21.5 |
| 29 (CH3) | 22.4 |
| 30 (CH2) | 109.3 |
| 3a (CH3) | 20.3 |
| 7a (CH3) | 17.4 |
| 18a (CH3) | 17.5 |
| 22a (CH3) | 20.3 |
