Spektraris NMR
Polysperlactone A
Common Name: Polysperlactone A
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-KYQDYEABSA-N
Formula: C32H42O6
Molecular Weight: 522.67349
Exact Mass: 522.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jia, Z., Lu, Y., Liao, Z., Chen, D. Helv Chim Acta (2007) 90, 1236-43
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) | 143.4 |
| 2 (CH) | 118.2 |
| 3 (C) | 167 |
| 4 (C) | 80.3 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 26.2 |
| 7 (CH2) | 39.4 |
| 8 (C) | 151 |
| 9 (C) | 126.8 |
| 10 (C) | 140.4 |
| 11 (CH2) | 35.1 |
| 12 (CH) | 73.8 |
| 13 (C) | 51.4 |
| 14 (C) | 48 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 39.4 |
| 18 (CH3) | 16.5 |
| 19 (CH) | 142 |
| 20 (CH) | 38.9 |
| 21 (CH3) | 12.5 |
| 22 (CH) | 80 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 139 |
| 25 (C) | 128.5 |
| 26 (C) | 166.3 |
| 27 (CH3) | 17 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 26.2 |
| 30 (CH3) | 27.6 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.4 |
