Spektraris NMR
Longispinogenin 3-glucuronide
Common Name: Longispinogenin 3-glucuronide
Synonyms: Longispinogenin 3-glucuronide
CAS Registry Number:
InChI: InChI=1S/C36H58O9/c1-31(2)14-15-36(18-37)20(16-31)19-8-9-22-33(5)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42)43)32(3,4)21(33)10-13-34(22,6)35(19,7)17-23(36)38/h8,20-28,30,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21-,22+,23-,24-,25-,26-,27+,28-,30+,33-,34+,35+,36+/m0/s1
InChIKey: InChIKey=IYGXHRZVCNKBPQ-BDUACZOQSA-N
Formula: C36H58O9
Molecular Weight: 634.8417
Exact Mass: 634.408083
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ye, W.C., Zhang, Q.W., Liu, X., Che, C.T., Zhao, S.X. Phytochemistry (2000) 53, 893-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.8 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 89 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.1 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.6 |
| 13 (C) | 143.9 |
| 14 (C) | 43.8 |
| 15 (CH2) | 36.7 |
| 16 (CH) | 66.6 |
| 17 (C) | 41.1 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 47.1 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 26.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 17 |
| 27 (CH3) | 27.2 |
| 28 (CH2) | 68.9 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 24.1 |
| 1' (CH) | 107.3 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.2 |
| 4' (CH) | 73.5 |
| 5' (CH) | 77.8 |
| 6' (C) | 173.1 |
