Spektraris NMR
ulmuestone
Common Name: ulmuestone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O6/c1-21-14-15-35(5)16-17-36(6)24-11-13-28-34(3,4)29(40)19-30(41)38(28,8)31(24)27(20-37(36,7)32(35)22(21)2)44-33(42)23-10-12-25(39)26(18-23)43-9/h10-12,18,21-22,27-29,31-32,39-40H,13-17,19-20H2,1-9H3/t21-,22+,27-,28+,29-,31-,32-,35-,36-,37+,38-/m1/s1
InChIKey: InChIKey=STAOIKRGAZXLNS-UINZKZHZSA-N
Formula: C38H54O6
Molecular Weight: 606.833194
Exact Mass: 606.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, D., Xia, M., Cui, Z. Chem Pharm Bull (2006) 54, 775-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baueranes; 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 (C) | 213.1 |
| 2 (CH2) | 45.7 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 24 |
| 7 (CH) | 119.3 |
| 8 (C) | 143.7 |
| 9 (CH) | 48.1 |
| 10 (C) | 49.8 |
| 11 (CH) | 69 |
| 12 (CH2) | 41.9 |
| 13 (C) | 39.3 |
| 14 (C) | 41.9 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 31.6 |
| 17 (C) | 32 |
| 18 (CH) | 54.4 |
| 19 (CH) | 35.6 |
| 20 (CH) | 31.9 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 12.1 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 22.7 |
| 28 (CH3) | 37.9 |
| 29 (CH3) | 25.6 |
| 30 (CH3) | 22.4 |
| 11a (C) | 165.3 |
| 11b (C) | 122.7 |
| 11c (CH) | 112.1 |
| 11d (C) | 146.2 |
| 11e (C) | 149.8 |
| 11f (CH) | 113.8 |
| 11g (CH) | 123.8 |
| 11da (CH3) | 56.1 |
