Spektraris NMR
Alboatisin B
Common Name: Alboatisin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/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/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15-,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=NAJAPJJKLLFJJT-JFJWUTIJSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 38.2 |
| 2 (CH2) | 17 |
| 3 (CH2) | 32.4 |
| 4 (C) | 49.4 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 31.5 |
| 7 (CH) | 71.2 |
| 8 (C) | 56.8 |
| 9 (CH) | 47.7 |
| 10 (C) | 37.9 |
| 11 (CH2) | 20.6 |
| 12 (CH) | 43.9 |
| 13 (CH) | 76.7 |
| 14 (CH) | 75.7 |
| 15 (C) | 200.3 |
| 16 (C) | 145.5 |
| 17 (CH2) | 118.3 |
| 18 (CH) | 206 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 14.4 |
