Spektraris NMR
Ulmicin A
Common Name: Ulmicin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H56O6/c1-21(2)23-12-15-35(5)20-30(41)38(8)24(31(23)35)19-27(44-33(42)22-10-11-25(39)26(18-22)43-9)32-36(6)16-14-29(40)34(3,4)28(36)13-17-37(32,38)7/h10-11,18,23-24,27-32,39-41H,1,12-17,19-20H2,2-9H3/t23-,24+,27+,28-,29-,30+,31+,32+,35+,36-,37+,38-/m0/s1
InChIKey: InChIKey=SFWXTEAVJISKCL-VHLKUCHMSA-N
Formula: C38H56O6
Molecular Weight: 608.849076
Exact Mass: 608.40769
NMR Solvent: CDCl3
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) | 41.28 |
| 2 (CH2) | 27.87 |
| 3 (CH) | 78.59 |
| 4 (C) | 39.67 |
| 5 (CH) | 55.06 |
| 6 (CH2) | 18.79 |
| 7 (CH2) | 37.75 |
| 8 (C) | 45.65 |
| 9 (CH) | 53.31 |
| 10 (C) | 39.23 |
| 11 (CH) | 73.42 |
| 12 (CH2) | 31.35 |
| 13 (CH) | 47.58 |
| 14 (C) | 46.36 |
| 15 (CH) | 73.16 |
| 16 (CH2) | 39.71 |
| 17 (C) | 44.34 |
| 18 (CH) | 51.56 |
| 19 (CH) | 47.58 |
| 20 (C) | 147.59 |
| 21 (CH2) | 28.13 |
| 22 (CH2) | 32.67 |
| 23 (CH3) | 28.61 |
| 24 (CH3) | 15.74 |
| 25 (CH3) | 16.78 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 12.34 |
| 28 (CH3) | 14.88 |
| 29 (CH2) | 110.34 |
| 30 (CH3) | 20.05 |
| 11a (C) | 123.47 |
| 11b (CH) | 112.31 |
| 11c (C) | 146.61 |
| 11d (C) | 150.4 |
| 11e (CH) | 113.98 |
| 11f (CH) | 124.72 |
| 11g (C) | 165.73 |
| 11ca (CH3) | 56.51 |
