Spektraris NMR
Cespihypotin P
Common Name: Cespihypotin P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-13-6-7-15-8-9-17(20(24)25-5)19(21(15,3)4)18(23)12-14(2)11-16(22)10-13/h11,15-16,22H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+/m1/s1
InChIKey: InChIKey=MEZXULZUADULAO-MEDRYPNSSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Lo, K.L., Chen, C.Y., Khalil, A.T., Shen, Y.C. Helv Chim Acta (2008) 91, 2308-15
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) | 42.2 |
| 2 (CH2) | 32.8 |
| 3 (CH2) | 33.5 |
| 4 (C) | 146.5 |
| 5 (CH2) | 44 |
| 6 (CH) | 69.6 |
| 7 (CH) | 136.9 |
| 8 (C) | 130.6 |
| 9 (CH2) | 54.7 |
| 10 (C) | 207.3 |
| 11 (C) | 160.9 |
| 12 (C) | 124.7 |
| 13 (CH2) | 21.6 |
| 14 (CH2) | 24.2 |
| 15 (C) | 38.5 |
| 16 (CH3) | 25.3 |
| 17 (CH3) | 33.4 |
| 18 (C) | 167.2 |
| 19 (CH3) | 18.3 |
| 20 (CH2) | 114.6 |
| 18a (CH3) | 52 |
