Spektraris NMR
Alboatisin A
Common Name: Alboatisin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-10-11-7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(22)20(13,16(10)24)17(25)15(11)23/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15-,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=AEVJUXOVPDPKGQ-JFJWUTIJSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, S.X., Zhou, Y., Yang, L.B., Zhao, Y., Li, S.H., Lou, L.G., Han, Q.B., Ding, L.S., Sun, H.D. J Nat Prod (2007) 70, 1053-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 39 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 35.7 |
| 4 (C) | 37.8 |
| 5 (CH) | 46 |
| 6 (CH2) | 29 |
| 7 (CH) | 71.9 |
| 8 (C) | 56.6 |
| 9 (CH) | 48 |
| 10 (C) | 39 |
| 11 (CH2) | 20.7 |
| 12 (CH) | 43.9 |
| 13 (CH) | 76.8 |
| 14 (CH) | 75.7 |
| 15 (C) | 200.8 |
| 16 (C) | 145.6 |
| 17 (CH2) | 118 |
| 18 (CH2) | 71.3 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 16.6 |
