Spektraris NMR
Heteroclitalactone C
Common Name: Heteroclitalactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H50O6/c1-9-38-29(36)14-15-33-19-34(33)17-16-31(7)25(22(5)26-12-10-21(4)30(37)40-26)18-28(39-23(6)35)32(31,8)27(34)13-11-24(33)20(2)3/h10,22,24-28H,2,9,11-19H2,1,3-8H3/t22-,24-,25-,26?,27-,28-,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=VGXOJJODXAUCBY-MEYZUINJSA-N
Formula: C34H50O6
Molecular Weight: 554.758488
Exact Mass: 554.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, W., Liu, J., Han, J., Xu, Z., Liu, R., Liu, P., Ma, X., Guan, S., Guo, D. Planta Med (2006) 72, 450-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.63 |
| 2 (CH2) | 26.7 |
| 3 (C) | 173.54 |
| 4 (C) | 148.85 |
| 5 (CH) | 45.89 |
| 6 (CH2) | 25.29 |
| 7 (CH2) | 28.95 |
| 8 (CH) | 48.64 |
| 9 (C) | 20.6 |
| 10 (C) | 28.04 |
| 11 (CH2) | 26.98 |
| 12 (CH2) | 36.56 |
| 13 (C) | 39.94 |
| 14 (C) | 48.86 |
| 15 (CH) | 75.42 |
| 16 (CH2) | 35.94 |
| 17 (CH) | 48.56 |
| 18 (CH3) | 20.45 |
| 19 (CH2) | 30.22 |
| 20 (CH) | 39.11 |
| 21 (CH3) | 12.01 |
| 22 (CH) | 80.31 |
| 23 (CH2) | 23.29 |
| 24 (CH) | 139.17 |
| 25 (C) | 128.46 |
| 26 (C) | 166.37 |
| 27 (CH3) | 16.81 |
| 28 (CH3) | 19.94 |
| 29 (CH2) | 111.97 |
| 30 (CH3) | 17.02 |
| 3a (CH2) | 60.32 |
| 3b (CH3) | 14.17 |
| 15a (C) | 169.62 |
| 15b (CH3) | 21.49 |
