Spektraris NMR
Cespihypotin C
Common Name: Cespihypotin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-13-6-7-16-8-9-18(20(24)21(16,4)5)26-19(23)12-14(2)11-17(10-13)25-15(3)22/h11,16-18H,1,6-10,12H2,2-5H3/b14-11+/t16-,17+,18+/m1/s1
InChIKey: InChIKey=BNJSOSQFSVHRRK-PCXFWWQXSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lin, J.J., Wu, Y.R., Chang, J.Y., Duh, C.Y., Lo, K.L. Tetrahedron Lett (2006) 47, 6651-55
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) | 43.1 |
| 2 (CH2) | 28.6 |
| 3 (CH2) | 33.6 |
| 4 (C) | 145.5 |
| 5 (CH2) | 43.1 |
| 6 (CH) | 71.4 |
| 7 (CH) | 133.1 |
| 8 (C) | 130.1 |
| 9 (CH2) | 46.4 |
| 10 (C) | 169.6 |
| 11 (C) | 211.3 |
| 12 (CH) | 72.2 |
| 13 (CH2) | 26.2 |
| 14 (CH2) | 20.1 |
| 15 (C) | 47.8 |
| 16 (CH3) | 27.7 |
| 17 (CH3) | 23.2 |
| 19 (CH3) | 17.3 |
| 20 (CH2) | 112.5 |
| 6a (C) | 170.2 |
| 6b (CH3) | 21.4 |
