Spektraris NMR
3-Acetoxy,5,11,12,13-tetrahydroxy-eudesm-4(15)-ene
Common Name: 3-Acetoxy,5,11,12,13-tetrahydroxy-eudesm-4(15)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-13-18(29-16(4)24)7-9-19(5)8-6-17(10-21(13,19)26)20(25,11-27-14(2)22)12-28-15(3)23/h17-18,25-26H,1,6-12H2,2-5H3/t17-,18+,19+,21-/m1/s1
InChIKey: InChIKey=JKEFOPKPYQUBOG-XODKDNOYSA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ali, E.T., Tzakou, O., Couladis, M., Mabry, T.J., Gati, T., Toth, G. Phytochemistry (2002) 59, 851-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 33.3 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 72.5 |
| 4 (C) | 149.7 |
| 5 (C) | 76.2 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 36.5 |
| 8 (CH2) | 21 |
| 9 (CH2) | 33.7 |
| 10 (C) | 37.9 |
| 11 (C) | 74.2 |
| 12 (CH2) | 65.9 |
| 13 (CH2) | 65.9 |
| 14 (CH3) | 20.1 |
| 15 (CH2) | 105.4 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.4 |
| 12a (C) | 171.3 |
| 12b (CH3) | 21.1 |
| 13a (C) | 171.3 |
| 13b (CH3) | 21.1 |
