Spektraris NMR
Polysperlactone B
Common Name: Polysperlactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O6/c1-18(2)22-9-11-25-29(6)14-12-23(20(4)24-10-8-19(3)28(36)38-24)30(29,7)26(37-21(5)33)16-32(25)17-31(22,32)15-13-27(34)35/h8,20,22-26H,1,9-17H2,2-7H3,(H,34,35)/t20-,22-,23+,24+,25-,26-,29-,30-,31+,32-/m0/s1
InChIKey: InChIKey=RJNFPPNSBKKMPE-LUYLZTFTSA-N
Formula: C32H46O6
Molecular Weight: 526.705253
Exact Mass: 526.329439
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 (CH2) | 28.6 |
| 2 (CH2) | 31 |
| 3 (C) | 178.4 |
| 4 (C) | 148.8 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 25.3 |
| 7 (CH2) | 28 |
| 8 (CH) | 48.8 |
| 9 (C) | 26.5 |
| 10 (C) | 20.6 |
| 11 (CH2) | 36 |
| 12 (CH) | 75.4 |
| 13 (C) | 48.6 |
| 14 (C) | 48.5 |
| 15 (CH2) | 36.5 |
| 16 (CH2) | 27 |
| 17 (CH) | 39.9 |
| 18 (CH3) | 16.8 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 39.1 |
| 21 (CH3) | 12 |
| 22 (CH) | 80.3 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 139.2 |
| 25 (C) | 128.4 |
| 26 (C) | 166.4 |
| 27 (CH3) | 17 |
| 28 (CH2) | 112 |
| 29 (CH3) | 25.1 |
| 30 (CH3) | 26.5 |
| 12a (C) | 169.7 |
| 12b (CH3) | 21.5 |
