Spektraris NMR
3-O-b-D-Glucopyranoslyl-22E,24R-5a,8a-epidioxyergosta-6,22-diene
Common Name: 3-O-b-D-Glucopyranoslyl-22E,24R-5a,8a-epidioxyergosta-6,22-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O8/c1-19(2)20(3)7-8-21(4)23-9-10-25-31(23,5)13-12-26-32(6)14-11-22(17-33(32)15-16-34(25,26)42-41-33)39-30-29(38)28(37)27(36)24(18-35)40-30/h7-8,15-16,19-30,35-38H,9-14,17-18H2,1-6H3/b8-7+/t20-,21+,22-,23+,24+,25?,26?,27+,28-,29+,30+,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=CKJZKFPVVUQBMB-ZSLOOKFMSA-N
Formula: C34H54O8
Molecular Weight: 590.789061
Exact Mass: 590.381869
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yue J.M., Chen S.N., Lin Z.W., Sun H.D. Phytochemistry (2001) 56, 801-6
Species:
Notes: Family : Steroids, Type : Ergostanes; 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) | 30.12 |
| 2 (CH2) | 34.63 |
| 3 (CH) | 74.07 |
| 4 (CH2) | 39.79 |
| 5 (C) | 82.15 |
| 6 (CH) | 135.91 |
| 7 (CH) | 131.07 |
| 8 (C) | 79.47 |
| 9 (CH) | 51.96 |
| 10 (C) | 37.52 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 37.52 |
| 13 (C) | 44.89 |
| 14 (CH) | 52.21 |
| 15 (CH2) | 23.8 |
| 16 (CH2) | 29.05 |
| 17 (CH) | 56.64 |
| 18 (CH3) | 13.21 |
| 19 (CH3) | 18.31 |
| 20 (CH) | 40.02 |
| 21 (CH3) | 21.29 |
| 22 (CH) | 135.91 |
| 23 (CH) | 132.6 |
| 24 (CH) | 43.25 |
| 25 (CH) | 33.51 |
| 26 (CH3) | 20.05 |
| 27 (CH3) | 20.35 |
| 28 (CH3) | 18.02 |
| 1' (CH) | 103.02 |
| 2' (CH) | 75.05 |
| 3' (CH) | 78.82 |
| 4' (CH) | 71.83 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.96 |
