Spektraris NMR
Preaustinoid B
Common Name: Preaustinoid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O5/c1-15-24(7)13-18-22(5)11-10-19(28)21(3,4)17(22)9-12-23(18,6)25(15,20(29)31-8)14-26(24,30)16(2)27/h17-18,30H,1,9-14H2,2-8H3/t17-,18+,22-,23+,24?,25?,26-/m0/s1
InChIKey: InChIKey=LMNVGJJSMCVXQH-MXWQRVCESA-N
Formula: C26H38O5
Molecular Weight: 430.577907
Exact Mass: 430.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geris dos Santos R.M., Rodrigues-Fo E. Phytochemistry (2002) 61, 907-12
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 37.8 |
| 2 (CH2) | 33.5 |
| 3 (C) | 217 |
| 4 (C) | 47 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 20 |
| 7 (CH2) | 31.9 |
| 8 (C) | 48.4 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 35.9 |
| 12 (CH3) | 16.9 |
| 13 (CH3) | 16.7 |
| 14 (CH3) | 20.6 |
| 15 (CH3) | 26.9 |
| 1' (CH2) | 107.7 |
| 2' (C) | 151 |
| 3' (C) | 49.6 |
| 4' (C) | 92 |
| 5' (C) | 207 |
| 6' (CH2) | 203 |
| 7' (C) | 74.6 |
| 8' (C) | 169 |
| 9' (CH3) | 17.1 |
| 10' (CH3) | 28.2 |
| 8'a (CH3) | 52.2 |
