Spektraris NMR
Luffasterol A
Common Name: Luffasterol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O5/c1-18(2)8-7-9-19(3)23-10-11-24(27(23,5)14-15-30)22-16-25-29(34-25)17-21(33-20(4)31)12-13-28(29,6)26(22)32/h15-16,18-19,21,23-25H,7-14,17H2,1-6H3/t19-,21+,23-,24+,25+,27-,28-,29+/m1/s1
InChIKey: InChIKey=LULBFAIQTMKTGW-DIRNYYKDSA-N
Formula: C29H44O5
Molecular Weight: 472.657759
Exact Mass: 472.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Q., Faulkner, D.J. J Nat Prod (1997) 60, 195-8
Species:
Notes: Family : Steroids, Type : Cholestanes; 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) | 27.5 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 70.5 |
| 4 (CH2) | 33.9 |
| 5 (C) | 63 |
| 6 (CH) | 53.4 |
| 7 (CH) | 139.8 |
| 8 (C) | 140.5 |
| 9 (C) | 200.3 |
| 10 (C) | 45.4 |
| 11 (CH) | 203.5 |
| 12 (CH2) | 50.5 |
| 13 (C) | 46.4 |
| 14 (CH) | 44.8 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 51.7 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 20.9 |
| 20 (CH) | 34.8 |
| 21 (CH3) | 19.3 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 24.3 |
| 24 (CH2) | 39.4 |
| 25 (CH) | 27.9 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 22.7 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.2 |
