Spektraris NMR
Acalycixeniolide D
Common Name: Acalycixeniolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O3/c1-4-5-6-7-15-14-10-11-19(3)17(22-19)9-8-13(2)16(14)12-21-18(15)20/h5,7,14,16-17H,1-2,6,8-12H2,3H3/b15-7+/t14-,16+,17+,19+/m1/s1
InChIKey: InChIKey=DNLGLROXRPVTKW-YNRFNGFMSA-N
Formula: C19H24O3
Molecular Weight: 300.392775
Exact Mass: 300.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rho, J.R., Lee, H.S., Seo, Y., Cho, K.W., Shin, J. J Nat Prod (2000) 63, 254-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 149.2 |
| 2 (CH) | 49 |
| 3 (CH) | 42.3 |
| 4 (CH2) | 35.9 |
| 5 (CH2) | 39.6 |
| 6 (C) | 59 |
| 7 (CH) | 62.5 |
| 8 (CH2) | 25.3 |
| 9 (CH2) | 32.1 |
| 10 (C) | 134.9 |
| 11 (CH) | 137.3 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 86.7 |
| 14 (C) | 208.9 |
| 15 (CH2) | 76.6 |
| 17 (C) | 170.1 |
| 18 (CH2) | 71.1 |
| 19 (CH2) | 115.3 |
| 20 (CH3) | 16.6 |
