Spektraris NMR
Alboatisin C
Common Name: Alboatisin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-11-12-7-15-19(3)6-4-5-18(2,10-21)14(19)8-16(23)20(15,17(11)24)9-13(12)22/h12-16,21-23H,1,4-10H2,2-3H3/t12-,13+,14+,15-,16+,18+,19+,20+/m0/s1
InChIKey: InChIKey=WHNRXVKFGPGHAF-HSVPHDSMSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 39.4 |
| 2 (CH2) | 18 |
| 3 (CH2) | 35.8 |
| 4 (C) | 37.9 |
| 5 (CH) | 46 |
| 6 (CH2) | 27.9 |
| 7 (CH) | 69.8 |
| 8 (C) | 51.7 |
| 9 (CH) | 47.6 |
| 10 (C) | 39.2 |
| 11 (CH2) | 20.7 |
| 12 (CH) | 44.8 |
| 13 (CH) | 66.7 |
| 14 (CH2) | 28.7 |
| 15 (C) | 202.5 |
| 16 (C) | 146.5 |
| 17 (CH2) | 118.1 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 18.1 |
| 20 (CH3) | 16.8 |
