Spektraris NMR
Heteroclitalactone B
Common Name: Heteroclitalactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H48O6/c1-19(2)23-10-12-26-31(7)27(38-22(5)34)17-24(21(4)25-11-9-20(3)29(36)39-25)30(31,6)15-16-33(26)18-32(23,33)14-13-28(35)37-8/h9,21,23-27H,1,10-18H2,2-8H3/t21-,23-,24-,25?,26-,27-,30+,31+,32+,33-/m0/s1
InChIKey: InChIKey=FJYDJZLXDUNZAK-IRRPZNRZSA-N
Formula: C33H48O6
Molecular Weight: 540.73187
Exact Mass: 540.345089
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) | 31.4 |
| 2 (CH2) | 26.66 |
| 3 (C) | 173.94 |
| 4 (C) | 148.86 |
| 5 (CH) | 45.91 |
| 6 (CH2) | 25.28 |
| 7 (CH2) | 28.96 |
| 8 (CH) | 48.65 |
| 9 (C) | 20.62 |
| 10 (C) | 28.03 |
| 11 (CH2) | 26.98 |
| 12 (CH2) | 36.56 |
| 13 (C) | 39.95 |
| 14 (C) | 48.83 |
| 15 (CH) | 75.42 |
| 16 (CH2) | 35.97 |
| 17 (CH) | 48.56 |
| 18 (CH3) | 20.43 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 39.11 |
| 21 (CH3) | 12 |
| 22 (CH) | 80.31 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 139.16 |
| 25 (C) | 128.46 |
| 26 (C) | 166.36 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 19.91 |
| 29 (CH2) | 111.97 |
| 30 (CH3) | 17 |
| 3a (CH3) | 51.54 |
| 15a (C) | 169.64 |
| 15b (CH3) | 21.49 |
