Spektraris NMR
3-0-?-D-Glucopyranosylchondrillasterol
Common Name: 3-0-?-D-Glucopyranosylchondrillasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21-,22+,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey: InChIKey=ITYGLICZKGWOPA-AOMHNSTISA-N
Formula: C35H58O6
Molecular Weight: 574.83275
Exact Mass: 574.42334
NMR Solvent: CD3OD
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) | 38.2 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 79.8 |
| 4 (CH2) | 35.3 |
| 5 (CH) | 41.1 |
| 6 (CH2) | 30.4 |
| 7 (CH) | 118.8 |
| 8 (C) | 140.4 |
| 9 (CH) | 50.4 |
| 10 (C) | 35.7 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 40.4 |
| 13 (C) | 44.4 |
| 14 (CH) | 55.3 |
| 15 (CH2) | 24.51 |
| 16 (CH2) | 29.8 |
| 17 (CH) | 56.81 |
| 18 (CH3) | 13.2 |
| 19 (CH3) | 13.9 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 22.5 |
| 22 (CH) | 139.7 |
| 23 (CH) | 130.5 |
| 24 (CH) | 52.5 |
| 25 (CH) | 30.9 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 22.3 |
| 28 (CH2) | 26.6 |
| 29 (CH3) | 13.3 |
| 1' (CH) | 103.1 |
| 2' (CH) | 76.1 |
| 3' (CH) | 77.9 |
| 4' (CH) | 72.6 |
| 5' (CH) | 76.3 |
| 6' (CH2) | 63.7 |
