Spektraris NMR
Austarlin C
Common Name: Austarlin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O7/c1-8-9-21(29)32-20-10-11-26(7,33-16(5)27)24-23-17(14(2)3)12-18(28)15(4)22(23)19(31-24)13-25(20,6)30/h14,17-20,22-24,28,30H,4,8-13H2,1-3,5-7H3/t17-,18+,19-,20+,22-,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=CDBMAXFWXOUPQK-ARLPOOHSSA-N
Formula: C26H42O7
Molecular Weight: 466.608479
Exact Mass: 466.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Wu, M.H., Wang, G.H., Wu, Y.C., Sheu, J.H. J Nat Prod (2005) 68, 1051-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) | 44.8 |
| 2 (CH) | 91.4 |
| 3 (C) | 86.5 |
| 4 (CH2) | 35.5 |
| 5 (CH2) | 29.3 |
| 6 (CH) | 84.2 |
| 7 (C) | 75.5 |
| 8 (CH2) | 46.2 |
| 9 (CH) | 80 |
| 10 (CH) | 51.6 |
| 11 (C) | 147.8 |
| 12 (CH) | 71.3 |
| 13 (CH2) | 30.5 |
| 14 (CH) | 35.5 |
| 15 (CH3) | 23.1 |
| 16 (CH3) | 23.6 |
| 17 (CH2) | 113.4 |
| 18 (CH) | 28.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 15.5 |
| 3a (C) | 171.8 |
| 3b (CH3) | 21.4 |
| 6a (C) | 172.2 |
| 6b (CH2) | 37.4 |
| 6c (CH2) | 18.4 |
| 6d (CH3) | 13.7 |
