Spektraris NMR
Elasclepic acid
Common Name: Elasclepic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-6-16(2)19(26)29-20-22(3)12-8-18-23(4)10-7-11-24(5,21(27)28)17(23)9-13-25(18,20)15-14-22/h6,14-15,17-18,20H,7-13H2,1-5H3,(H,27,28)/b16-6+/t17-,18-,20-,22+,23+,24+,25+/m0/s1
InChIKey: InChIKey=XAGOABKVVNRUKC-SRDWAYAESA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosselli, S., Maggio, A., Eiroa, C., Formisano, C., Bruno, M., Irace, C., Maffettone, C., Mascolo, N. Planta Med (2008) 74, 1285-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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 (CH2) | 40 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.7 |
| 4 (C) | 43.6 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 32.1 |
| 8 (C) | 53.2 |
| 9 (CH) | 52 |
| 10 (C) | 37.9 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 32.4 |
| 13 (C) | 48.2 |
| 14 (CH) | 94.3 |
| 15 (CH) | 132.1 |
| 16 (CH) | 133.5 |
| 17 (CH3) | 19.2 |
| 18 (CH3) | 29 |
| 19 (C) | 183.1 |
| 20 (CH3) | 14.1 |
| 14a (C) | 168.4 |
| 14b (C) | 128.8 |
| 14c (CH) | 136.7 |
| 14d (CH3) | 14.3 |
| 14ba (CH3) | 12.1 |
