Spektraris NMR
Heteroclitalactone D
Common Name: Heteroclitalactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O6/c1-18-8-12-26(37-29(18)35)19(2)23-14-15-31(6)25-11-10-24-21(9-13-28(34)38-30(24,4)5)16-22(25)17-27(32(23,31)7)36-20(3)33/h8-9,13,16,19,23-24,26-27H,10-12,14-15,17H2,1-7H3/t19-,23-,24?,26?,27-,31-,32-/m0/s1
InChIKey: InChIKey=CQMNBAQXESFULW-UQFISNMXSA-N
Formula: C32H42O6
Molecular Weight: 522.67349
Exact Mass: 522.298139
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 (CH) | 143.39 |
| 2 (CH) | 118.11 |
| 3 (C) | 167.05 |
| 4 (C) | 80.01 |
| 5 (CH) | 49.14 |
| 6 (CH2) | 26.21 |
| 7 (CH2) | 27.81 |
| 8 (C) | 151.02 |
| 9 (C) | 126.8 |
| 10 (C) | 140.4 |
| 11 (CH2) | 35.09 |
| 12 (CH) | 73.81 |
| 13 (C) | 48.05 |
| 14 (C) | 51.35 |
| 15 (CH2) | 31.88 |
| 16 (CH2) | 23.4 |
| 17 (CH) | 38.87 |
| 18 (CH3) | 16.47 |
| 19 (CH) | 141.99 |
| 20 (CH) | 39.44 |
| 21 (CH3) | 12.51 |
| 22 (CH) | 80.26 |
| 23 (CH2) | 23.34 |
| 24 (CH) | 138.99 |
| 25 (C) | 128.45 |
| 26 (C) | 166.28 |
| 27 (CH3) | 16.99 |
| 28 (CH3) | 29 |
| 29 (CH3) | 26.21 |
| 30 (CH3) | 27.55 |
| 12a (C) | 169.88 |
| 12b (CH3) | 21.36 |
