Spektraris NMR
Chondrillasterol
Common Name: Chondrillasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=JZVFJDZBLUFKCA-INYURWPISA-N
Formula: C29H48O1
Molecular Weight: 412.691902
Exact Mass: 412.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wandji, J., Tillequin, F., Mulholland, D.A., Wansi, J.D., Fomum, T.Z., Fuendjiep, V., Libot, F., Tsabang, N. Planta Med (2002) 68, 822-6
Species:
Notes: Family : Steroids, Type : Poliferastanes; 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) | 37.1 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 71 |
| 4 (CH2) | 34.2 |
| 5 (CH) | 40.2 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 117.4 |
| 8 (C) | 139.6 |
| 9 (CH) | 49.4 |
| 10 (C) | 34.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 39.4 |
| 13 (C) | 43.3 |
| 14 (CH) | 55.1 |
| 15 (CH2) | 23 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 12 |
| 19 (CH3) | 13 |
| 20 (CH) | 40.8 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 138.2 |
| 23 (CH) | 129.4 |
| 24 (CH) | 51.2 |
| 25 (CH) | 31.9 |
| 26 (CH3) | 19 |
| 27 (CH3) | 21.4 |
| 28 (CH2) | 25.4 |
| 29 (CH3) | 12.2 |
