Spektraris NMR
Cespitolide
Common Name: Cespitolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13(2)6-5-7-16-15-10-11-20(4)18(23-20)9-8-14(3)17(15)12-22-19(16)21/h5-7,13,15,17-18H,3,8-12H2,1-2,4H3/b6-5+,16-7-/t15-,17+,18+,20+/m1/s1
InChIKey: InChIKey=ZSANGTDQAZWEAX-LHOFPVFUSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 148.9 |
| 2 (CH) | 49.4 |
| 3 (CH) | 42 |
| 4 (CH2) | 36.4 |
| 5 (CH2) | 39.8 |
| 6 (C) | 59.2 |
| 7 (CH) | 62.9 |
| 8 (CH2) | 25.6 |
| 9 (CH2) | 31.6 |
| 10 (C) | 130.4 |
| 11 (CH) | 120.9 |
| 12 (CH) | 138.8 |
| 13 (CH) | 153 |
| 14 (CH) | 32 |
| 15 (CH3) | 22 |
| 16 (CH3) | 22 |
| 17 (C) | 170.6 |
| 18 (CH2) | 71 |
| 19 (CH2) | 115.9 |
| 20 (CH3) | 16.9 |
