Spektraris NMR
15-Acetoxyeremantholide B
Common Name: 15-Acetoxyeremantholide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-6-11(2)22(26)21(5)18-15(28-19(21)25)7-13(10-27-12(3)23)14-8-17(24)20(4,29-14)9-16(18)30-22/h7-8,11,15-16,18,26H,6,9-10H2,1-5H3/b13-7-/t11?,15-,16+,18+,20-,21-,22-/m1/s1
InChIKey: InChIKey=UNFGCPCUYMXWDG-OOQPEQBFSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vichnewski, W., Skrochy, C.A., Maria, A., Nasi, T.T., Lopes, J.L.C., Herz, W. Phytochemistry (1999) 50, 317-20
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (C) | 205.5 |
| 2 (CH) | 105.8 |
| 3 (C) | 183.2 |
| 4 (C) | 127.4 |
| 5 (CH) | 136.3 |
| 6 (CH) | 79 |
| 7 (CH) | 63.9 |
| 8 (CH) | 75.4 |
| 9 (CH2) | 43.9 |
| 10 (C) | 88.2 |
| 11 (C) | 60.2 |
| 12 (C) | 175.5 |
| 13 (CH3) | 20.8 |
| 14 (CH3) | 22.7 |
| 15 (CH2) | 63.3 |
| 8a (C) | 108.1 |
| 8b (CH) | 39.4 |
| 8c (CH2) | 22.7 |
| 8d (CH3) | 12 |
| 8ba (CH3) | 13 |
| 15a (C) | 170.2 |
| 15b (CH3) | 16.9 |
