Spektraris NMR
Cespitularin B
Common Name: Cespitularin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O/c1-14-6-5-7-15(2)12-18-19-16(13-21-18)9-11-17(10-8-14)20(19,3)4/h7,13,17H,1,5-6,8-12H2,2-4H3/b15-7+/t17-/m1/s1
InChIKey: InChIKey=MHENRDVDYDHIBZ-SXKJYUOZSA-N
Formula: C20H28O1
Molecular Weight: 284.436464
Exact Mass: 284.214016
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1429-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) | 44.8 |
| 2 (CH2) | 32.5 |
| 3 (CH2) | 29.2 |
| 4 (C) | 152.7 |
| 5 (CH2) | 32.9 |
| 6 (CH2) | 36.5 |
| 7 (CH) | 127.4 |
| 8 (C) | 134.3 |
| 9 (CH2) | 36.4 |
| 10 (C) | 147 |
| 11 (C) | 125.3 |
| 12 (C) | 123.1 |
| 13 (CH2) | 16.1 |
| 14 (CH2) | 26 |
| 15 (C) | 34.5 |
| 16 (CH3) | 33.6 |
| 17 (CH3) | 25.8 |
| 18 (CH) | 134.8 |
| 19 (CH3) | 17.6 |
| 20 (CH2) | 109.2 |
