Spektraris NMR
Cespihypotin B
Common Name: Cespihypotin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O3/c1-12-8-9-13-6-5-7-14(18(13,2)3)16(21)11-19(4)17(22-19)15(20)10-12/h7,13,15,17,20H,1,5-6,8-11H2,2-4H3/t13-,15-,17?,19?/m0/s1
InChIKey: InChIKey=HOLAXAWUGWLWRE-FFYMWQKLSA-N
Formula: C19H28O3
Molecular Weight: 304.424538
Exact Mass: 304.203845
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) | 42.3 |
| 2 (CH2) | 29.7 |
| 3 (CH2) | 32.3 |
| 4 (C) | 145.8 |
| 5 (CH2) | 42.2 |
| 6 (CH) | 70 |
| 7 (CH) | 66.5 |
| 8 (C) | 60.4 |
| 9 (CH2) | 53.1 |
| 10 (C) | 201.1 |
| 11 (C) | 148.9 |
| 12 (CH) | 137.5 |
| 13 (CH2) | 22.7 |
| 14 (CH2) | 24 |
| 15 (C) | 35.2 |
| 16 (CH3) | 32.3 |
| 17 (CH3) | 24.8 |
| 19 (CH3) | 17.1 |
| 20 (CH2) | 113.9 |
