Spektraris NMR
3 β-O-β-xylopyranosylchondrillasterol
Common Name: 3 β-O-β-xylopyranosylchondrillasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O6/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(39-32-30(37)28(35)29(36)31(38)40-32)14-16-33(22,5)27(24)15-17-34(25,26)6/h8-9,11,19-23,25-32,35-38H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26+,27+,28+,29+,30-,31+,32-,33+,34-/m1/s1
InChIKey: InChIKey=PDDGXFLLKOJKQB-FRUJHNLNSA-N
Formula: C34H56O6
Molecular Weight: 560.806132
Exact Mass: 560.40769
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) | 29.8 |
| 3 (CH) | 79.5 |
| 4 (CH2) | 35.2 |
| 5 (CH) | 41 |
| 6 (CH2) | 30 |
| 7 (CH) | 118.7 |
| 8 (C) | 140.4 |
| 9 (CH) | 50.4 |
| 10 (C) | 35.6 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 40.4 |
| 13 (C) | 44.3 |
| 14 (CH) | 55.2 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 29.8 |
| 17 (CH) | 56.8 |
| 18 (CH3) | 13.1 |
| 19 (CH3) | 13.9 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 22.5 |
| 22 (CH) | 139.6 |
| 23 (CH) | 130.5 |
| 24 (CH) | 52.3 |
| 25 (CH) | 30.9 |
| 26 (CH3) | 20.1 |
| 27 (CH3) | 22.2 |
| 28 (CH2) | 26.6 |
| 29 (CH3) | 13.4 |
| 1' (CH) | 105.1 |
| 2' (CH) | 75.1 |
| 3' (CH) | 77 |
| 4' (CH) | 70.1 |
| 5' (CH) | 66.9 |
