Spektraris NMR
Casearlucin B
Common Name: Casearlucin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O8/c1-9-15(2)10-11-26(7)16(3)12-23(31-8)27-21(13-20(14-22(26)27)32-17(4)28)24(33-18(5)29)35-25(27)34-19(6)30/h9,13,16,20,22-25H,1-2,10-12,14H2,3-8H3/t16-,20-,22+,23+,24+,25?,26-,27-/m0/s1
InChIKey: InChIKey=BZVDIOLNPIHYMD-RIDQAFBKSA-N
Formula: C27H38O8
Molecular Weight: 490.586857
Exact Mass: 490.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sai Prakash, C.V., Hoch, J.M., Kingston, D.G. J Nat Prod (2002) 65, 100-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.7 |
| 2 (CH) | 71 |
| 3 (CH) | 123.6 |
| 4 (C) | 145.4 |
| 5 (C) | 53.2 |
| 6 (CH) | 83.2 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 37.1 |
| 9 (C) | 41.3 |
| 10 (CH) | 38.4 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 23.8 |
| 13 (C) | 145.9 |
| 14 (CH) | 140.4 |
| 15 (CH2) | 112.6 |
| 16 (CH2) | 115.6 |
| 17 (CH3) | 15.9 |
| 18 (CH) | 95.8 |
| 19 (CH) | 98 |
| 20 (CH3) | 25.7 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.6 |
| 6a (CH3) | 57.6 |
| 18a (C) | 170.2 |
| 18b (CH3) | 21.4 |
| 19a (C) | 169.8 |
| 19b (CH3) | 21.3 |
