Spektraris NMR
Ulmicin B
Common Name: Ulmicin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O5/c1-21(2)24-13-16-34(5)20-29(40)37(8)25(30(24)34)19-26(42-32(41)22-9-11-23(38)12-10-22)31-35(6)17-15-28(39)33(3,4)27(35)14-18-36(31,37)7/h9-12,24-31,38-40H,1,13-20H2,2-8H3/t24-,25+,26+,27-,28-,29+,30+,31+,34+,35-,36+,37-/m0/s1
InChIKey: InChIKey=CPDJEYUROFSDBM-LWCXCPIHSA-N
Formula: C37H54O5
Molecular Weight: 578.823054
Exact Mass: 578.397125
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, M.K., Kim, Y.C. J Nat Prod (2001) 64, 328-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 41.56 |
| 2 (CH2) | 27.51 |
| 3 (CH) | 78.72 |
| 4 (C) | 39.68 |
| 5 (CH) | 55.48 |
| 6 (CH2) | 18.37 |
| 7 (CH2) | 37.76 |
| 8 (C) | 45.78 |
| 9 (CH) | 53.7 |
| 10 (C) | 39.33 |
| 11 (CH) | 73.26 |
| 12 (CH2) | 31.54 |
| 13 (CH) | 47.45 |
| 14 (C) | 46.83 |
| 15 (CH) | 73.15 |
| 16 (CH2) | 39.68 |
| 17 (C) | 44.37 |
| 18 (CH) | 51.85 |
| 19 (CH) | 47.74 |
| 20 (C) | 147.81 |
| 21 (CH2) | 27.94 |
| 22 (CH2) | 32.38 |
| 23 (CH3) | 28.14 |
| 24 (CH3) | 15.41 |
| 25 (CH3) | 16.25 |
| 26 (CH3) | 18.15 |
| 27 (CH3) | 11.76 |
| 28 (CH3) | 14.28 |
| 29 (CH2) | 110.48 |
| 30 (CH3) | 18.96 |
| 11a (C) | 123.04 |
| 11b (CH) | 132.25 |
| 11c (CH) | 115.57 |
| 11d (C) | 162.84 |
| 11e (CH) | 115.55 |
| 11f (CH) | 132.25 |
| 11g (C) | 166.63 |
