Spektraris NMR
Ulmicin E
Common Name: Ulmicin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H60O7/c1-26(2)29-17-20-42(5)25-36(52-39(48)27-13-11-10-12-14-27)45(8)30(37(29)42)24-33(51-40(49)28-15-16-31(46)32(23-28)50-9)38-43(6)21-19-35(47)41(3,4)34(43)18-22-44(38,45)7/h10-16,23,29-30,33-38,46-47H,1,17-22,24-25H2,2-9H3/t29-,30+,33-,34-,35-,36+,37+,38+,42+,43-,44+,45-/m0/s1
InChIKey: InChIKey=BXULOPKZYSOQMM-WZFWHKKMSA-N
Formula: C45H60O7
Molecular Weight: 712.955395
Exact Mass: 712.433904
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) | 41.02 |
| 2 (CH2) | 26.78 |
| 3 (CH) | 77.35 |
| 4 (C) | 38.87 |
| 5 (CH) | 54.35 |
| 6 (CH2) | 18 |
| 7 (CH2) | 35.99 |
| 8 (C) | 45.02 |
| 9 (CH) | 52.72 |
| 10 (C) | 38.51 |
| 11 (CH) | 72.26 |
| 12 (CH2) | 27.57 |
| 13 (CH) | 46.28 |
| 14 (C) | 46.11 |
| 15 (CH) | 75.85 |
| 16 (CH2) | 38.74 |
| 17 (C) | 43.49 |
| 18 (CH) | 50.5 |
| 19 (CH) | 47.13 |
| 20 (C) | 147.38 |
| 21 (CH2) | 27.12 |
| 22 (CH2) | 30.41 |
| 23 (CH3) | 27.23 |
| 24 (CH3) | 14.56 |
| 25 (CH3) | 15.36 |
| 26 (CH3) | 17.72 |
| 27 (CH3) | 12.24 |
| 28 (CH3) | 13.54 |
| 29 (CH2) | 109.36 |
| 30 (CH3) | 18.19 |
| 11a (C) | 121.71 |
| 11b (CH) | 112.31 |
| 11c (C) | 146.85 |
| 11d (C) | 151.53 |
| 11e (CH) | 114.61 |
| 11f (CH) | 123.85 |
| 11g (C) | 165.75 |
| 11ca (CH3) | 55.04 |
| 15a (C) | 131.66 |
| 15b (CH) | 128.98 |
| 15c (CH) | 128.25 |
| 15d (CH) | 132.87 |
| 15e (CH) | 128.25 |
| 15f (CH) | 128.98 |
| 15g (C) | 165.87 |
