Spektraris NMR
Cespitularin H
Common Name: Cespitularin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-11-5-6-13-7-8-15-17(20(13,3)4)19(23)16(18(15)22)12(2)10-14(21)9-11/h5,12-13,16,18,22H,6-10H2,1-4H3/b11-5-/t12-,13+,16-,18-/m0/s1
InChIKey: InChIKey=AXOPQHQNFSMCKW-ZSEYTQBKSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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 : Cespitularanes; 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) | 42.1 |
| 2 (CH2) | 31.2 |
| 3 (CH) | 129 |
| 4 (C) | 127 |
| 5 (CH2) | 46.9 |
| 6 (C) | 213.3 |
| 7 (CH2) | 47.2 |
| 8 (CH) | 25.3 |
| 9 (CH) | 57.5 |
| 10 (C) | 205.2 |
| 11 (C) | 143.2 |
| 12 (C) | 168 |
| 13 (CH2) | 20.8 |
| 14 (CH2) | 22.3 |
| 15 (C) | 35.4 |
| 16 (CH3) | 31.5 |
| 17 (CH3) | 25.3 |
| 18 (CH) | 72.4 |
| 19 (CH3) | 23 |
| 20 (CH3) | 27.1 |
