Spektraris NMR
Dioxanylolide
Common Name: Dioxanylolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H62O8/c1-23(2)28-20-32(42)26(5)12-10-11-24(3)18-33(43)31-19-27(6)29-21-35(45)40(8)37-15-16-39(7,48-37)36(49-40)14-13-25(4)17-30(29)41(31,22-34(28)44)38(46)47-9/h17,23-24,26,28,30-31,35-37,45H,10-16,18-22H2,1-9H3/b25-17+/t24-,26+,28-,30-,31+,35-,36-,37-,39+,40+,41-/m0/s1
InChIKey: InChIKey=JBWJHXSTSNLKHO-RTQHRWBESA-N
Formula: C41H62O8
Molecular Weight: 682.927738
Exact Mass: 682.444469
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Benayahu, Y., Kashman, Y. J Nat Prod (2007) 70, 1951-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 52.1 |
| 2 (C) | 213.6 |
| 3 (CH2) | 49.7 |
| 4 (C) | 48.9 |
| 5 (CH) | 47.1 |
| 6 (C) | 214.7 |
| 7 (CH2) | 49.6 |
| 8 (CH) | 26.5 |
| 9 (CH2) | 36.9 |
| 10 (CH2) | 24.6 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 47.6 |
| 13 (C) | 212.8 |
| 14 (CH2) | 38.4 |
| 15 (CH) | 29.8 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 21.6 |
| 18 (C) | 174.1 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 17.1 |
| 1' (C) | 126.9 |
| 2' (CH) | 41.7 |
| 3' (CH) | 124.5 |
| 4' (C) | 138.7 |
| 5' (CH2) | 39.7 |
| 6' (CH2) | 28.5 |
| 7' (CH) | 85.3 |
| 8' (C) | 73.8 |
| 9' (CH2) | 35.7 |
| 10' (CH2) | 21.7 |
| 11' (CH) | 70.8 |
| 12' (C) | 76.8 |
| 13' (CH) | 71.9 |
| 14' (CH2) | 32.13 |
| 15' (C) | 128.1 |
| 16' (CH2) | 33.3 |
| 17' (CH3) | 20.8 |
| 18' (CH3) | 20.9 |
| 19' (CH3) | 31.5 |
| 20' (CH3) | 19.7 |
| 18a (CH3) | 51.9 |
