Spektraris NMR
Cespihypotin S
Common Name: Cespihypotin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-13-6-7-15-8-9-19-17(24-5)25-20(23,12-14(2)11-16(22)10-13)21(19,26-19)18(15,3)4/h11,15,17,23H,1,6-10,12H2,2-5H3/b14-11+/t15-,17-,19-,20-,21-/m1/s1
InChIKey: InChIKey=WHHRTYNDXASKPJ-CXLYDYCDSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lo, K.L., Kuo, Y.H., Kuo, Y.C., Chen, C.H., Khalil, A.T. J Nat Prod (2008) 71, 1993-7
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) | 43.5 |
| 2 (CH2) | 24.3 |
| 3 (CH2) | 37.7 |
| 4 (C) | 143.2 |
| 5 (CH2) | 54.9 |
| 6 (C) | 199 |
| 7 (CH) | 128.8 |
| 8 (C) | 132.5 |
| 9 (CH2) | 40.9 |
| 10 (C) | 93.7 |
| 11 (C) | 73.1 |
| 12 (C) | 78.1 |
| 13 (CH2) | 31.3 |
| 14 (CH2) | 33.8 |
| 15 (C) | 38.2 |
| 16 (CH3) | 23.7 |
| 17 (CH3) | 25.9 |
| 18 (CH) | 109.7 |
| 19 (CH3) | 19.2 |
| 20 (CH2) | 116.4 |
| 18a (CH3) | 56.6 |
