Spektraris NMR
Ulmicin D
Common Name: Ulmicin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H62O9/c1-25(2)28-15-18-43(5)24-37(55-41(51)27-12-14-31(48)33(22-27)53-10)46(8)29(38(28)43)23-34(54-40(50)26-11-13-30(47)32(21-26)52-9)39-44(6)19-17-36(49)42(3,4)35(44)16-20-45(39,46)7/h11-14,21-22,28-29,34-39,47-49H,1,15-20,23-24H2,2-10H3/t28-,29+,34+,35-,36-,37+,38+,39+,43+,44-,45+,46-/m0/s1
InChIKey: InChIKey=KXJAZRZJROOYLF-ONZJNLHXSA-N
Formula: C46H62O9
Molecular Weight: 758.980822
Exact Mass: 758.439384
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) | 38.52 |
| 5 (CH) | 54.44 |
| 6 (CH2) | 18.04 |
| 7 (CH2) | 36.19 |
| 8 (C) | 45.01 |
| 9 (CH) | 52.76 |
| 10 (C) | 38.52 |
| 11 (CH) | 72.25 |
| 12 (CH2) | 27.59 |
| 13 (CH) | 46.28 |
| 14 (C) | 46.01 |
| 15 (CH) | 75.54 |
| 16 (CH2) | 38.75 |
| 17 (C) | 43.5 |
| 18 (CH) | 50.53 |
| 19 (CH) | 47.14 |
| 20 (C) | 147.45 |
| 21 (CH2) | 27.12 |
| 22 (CH2) | 30.44 |
| 23 (CH3) | 27.26 |
| 24 (CH3) | 14.54 |
| 25 (CH3) | 15.38 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 12.26 |
| 28 (CH3) | 13.55 |
| 29 (CH2) | 109.33 |
| 30 (CH3) | 18.19 |
| 11a (C) | 121.73 |
| 11b (CH) | 112.28 |
| 11c (C) | 146.67 |
| 11d (C) | 151.82 |
| 11e (CH) | 114.67 |
| 11f (CH) | 123.9 |
| 11g (C) | 165.87 |
| 11ca (CH3) | 54.99 |
| 15a (C) | 121.73 |
| 15b (CH) | 112.07 |
| 15c (C) | 146.67 |
| 15d (C) | 147.45 |
| 15e (CH) | 114.67 |
| 15f (CH) | 123.55 |
| 15g (C) | 165.75 |
| 15ca (CH3) | 55.01 |
