Spektraris NMR
Ulmicin C
Common Name: Ulmicin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H60O8/c1-25(2)29-16-19-42(5)24-36(53-39(49)26-10-13-28(46)14-11-26)45(8)30(37(29)42)23-33(52-40(50)27-12-15-31(47)32(22-27)51-9)38-43(6)20-18-35(48)41(3,4)34(43)17-21-44(38,45)7/h10-15,22,29-30,33-38,46-48H,1,16-21,23-24H2,2-9H3/t29-,30+,33+,34-,35-,36+,37+,38+,42+,43-,44+,45-/m0/s1
InChIKey: InChIKey=BRUCUXTUEIVGBU-MHCBGZSASA-N
Formula: C45H60O8
Molecular Weight: 728.9548
Exact Mass: 728.428819
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) | 41.17 |
| 2 (CH2) | 26.71 |
| 3 (CH) | 77.4 |
| 4 (C) | 38.92 |
| 5 (CH) | 54.5 |
| 6 (CH2) | 18.06 |
| 7 (CH2) | 35.99 |
| 8 (C) | 45.04 |
| 9 (CH) | 52.76 |
| 10 (C) | 38.54 |
| 11 (CH) | 72.33 |
| 12 (CH2) | 27.67 |
| 13 (CH) | 46.31 |
| 14 (C) | 46.11 |
| 15 (CH) | 75.33 |
| 16 (CH2) | 38.78 |
| 17 (C) | 43.53 |
| 18 (CH) | 50.55 |
| 19 (CH) | 47.25 |
| 20 (C) | 147.4 |
| 21 (CH2) | 27.15 |
| 22 (CH2) | 30.47 |
| 23 (CH3) | 27.29 |
| 24 (CH3) | 14.61 |
| 25 (CH3) | 15.45 |
| 26 (CH3) | 17.76 |
| 27 (CH3) | 12.31 |
| 28 (CH3) | 13.61 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 18.24 |
| 11a (C) | 121.61 |
| 11b (CH) | 112.32 |
| 11c (C) | 146.7 |
| 11d (C) | 151.21 |
| 11e (CH) | 114.64 |
| 11f (CH) | 123.9 |
| 11g (C) | 165.77 |
| 11ca (CH3) | 55.07 |
| 15a (C) | 121.74 |
| 15b (CH) | 131.3 |
| 15c (CH) | 114.88 |
| 15d (C) | 162.19 |
| 15e (CH) | 114.88 |
| 15f (CH) | 131.3 |
| 15g (C) | 165.93 |
