Spektraris NMR
Austarlin B
Common Name: Austarlin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O7/c1-8-9-20(28)32-25(7)13-10-18(15(2)3)21-22(25)26(30)14-16(4)19(31-17(5)27)11-12-24(6,29)23(21)33-26/h15,18-19,21-23,29-30H,4,8-14H2,1-3,5-7H3/t18-,19+,21-,22-,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=MOLHYXXXUDUQTC-HSKZKXPYSA-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) | 39.8 |
| 2 (CH) | 90 |
| 3 (C) | 73.9 |
| 4 (CH2) | 34.1 |
| 5 (CH2) | 32.2 |
| 6 (CH) | 75.4 |
| 7 (C) | 146.9 |
| 8 (CH2) | 49.7 |
| 9 (C) | 106.5 |
| 10 (CH) | 47 |
| 11 (C) | 83.7 |
| 12 (CH2) | 33.7 |
| 13 (CH2) | 18 |
| 14 (CH) | 43 |
| 15 (CH3) | 26.8 |
| 16 (CH2) | 119.1 |
| 17 (CH3) | 24.1 |
| 18 (CH) | 28.2 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 14.8 |
| 6a (C) | 170.6 |
| 6b (CH3) | 22.7 |
| 11a (C) | 173.5 |
| 11b (CH2) | 36.5 |
| 11c (CH2) | 18.5 |
| 11d (CH3) | 13.7 |
