Spektraris NMR
Norselic acid E
Common Name: Norselic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O5/c1-7-30(19(2)3,36-21(5)32)16-12-20(4)25-10-11-27-24-9-8-22-18-23(33)13-15-29(22,6)26(24)14-17-31(25,27)28(34)35/h8-9,13,15,18,20,24-27H,2,7,10-12,14,16-17H2,1,3-6H3,(H,34,35)/t20-,24-,25-,26+,27+,29+,30-,31+/m1/s1
InChIKey: InChIKey=JFWKHVJJUMJZAN-RKDCWTDHSA-N
Formula: C31H42O5
Molecular Weight: 494.663349
Exact Mass: 494.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, W.S., Mutka, T., Vesley, B., Amsler, M.O., McClintock, J.B., Amsler, C.D., Perman, J.A., Singh, M.P., Maiese, W.M., Zaworotko, M.J., Kyle, D.E., Baker, B.J. J Nat Prod (2009) 72, 1842-6
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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) | 153.2 |
| 2 (CH) | 128.3 |
| 3 (C) | 186.7 |
| 4 (CH) | 123.9 |
| 5 (C) | 162.9 |
| 6 (CH) | 127.9 |
| 7 (CH) | 138 |
| 8 (CH) | 40.2 |
| 9 (CH) | 48.4 |
| 10 (C) | 41.5 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 36.4 |
| 13 (C) | 57.3 |
| 14 (CH) | 54.6 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 56 |
| 18 (C) | 178.8 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 19.3 |
| 22 (CH2) | 24.6 |
| 23 (CH2) | 30.5 |
| 24 (C) | 89 |
| 25 (C) | 144.5 |
| 26 (CH2) | 112.5 |
| 27 (CH3) | 19.1 |
| 24a (CH2) | 27.1 |
| 24b (CH3) | 7.7 |
| 24c (C) | 170.1 |
| 24d (CH3) | 22.1 |
