Spektraris NMR
fomitopsic acid B
Common Name: fomitopsic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26-,31+,32+,33-/m0/s1
InChIKey: InChIKey=SXYOHWHWZQDZED-YAIYFESBSA-N
Formula: C33H48O5
Molecular Weight: 524.732465
Exact Mass: 524.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7
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) | 36.61 |
| 2 (CH2) | 34.84 |
| 3 (C) | 216.9 |
| 4 (C) | 47.49 |
| 5 (CH) | 50.69 |
| 6 (CH2) | 23.67 |
| 7 (CH) | 120.2 |
| 8 (C) | 142.59 |
| 9 (C) | 144.54 |
| 10 (C) | 37.22 |
| 11 (CH) | 117.04 |
| 12 (CH2) | 36.92 |
| 13 (C) | 43.48 |
| 14 (C) | 50.38 |
| 15 (CH2) | 31.38 |
| 16 (CH2) | 27.52 |
| 17 (CH) | 45.19 |
| 18 (CH3) | 15.94 |
| 19 (CH3) | 22.03 |
| 20 (CH) | 39.67 |
| 21 (CH2) | 65.88 |
| 22 (CH2) | 30.15 |
| 23 (CH2) | 24.72 |
| 24 (CH) | 124.41 |
| 25 (C) | 131.63 |
| 26 (CH3) | 17.68 |
| 27 (CH3) | 25.71 |
| 28 (CH3) | 22.46 |
| 29 (CH3) | 25.32 |
| 30 (CH3) | 25.45 |
| 21a (C) | 167.47 |
| 21b (CH2) | 41.04 |
| 21c (C) | 169.02 |
