Spektraris NMR
ilexolic acid B
Common Name: ilexolic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-25(2)13-15-30(24(35)36)16-14-27(4)17(21(30)22(25)32)7-8-18-26(3)11-10-20(31)29(6,23(33)34)19(26)9-12-28(18,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19-,20+,21-,22+,26-,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=DVZQJJHIDXRSFW-VZCJQHKYSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Amimoto K., Yoshikawa K., Arihara S. Phytochemistry (1993) 33, 1475-80
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) | 39 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 75.1 |
| 4 (C) | 52.2 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.5 |
| 9 (CH) | 48.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.3 |
| 12 (CH) | 123.4 |
| 13 (C) | 145 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 29.3 |
| 17 (C) | 46.1 |
| 18 (CH) | 44.9 |
| 19 (CH) | 81.4 |
| 20 (C) | 35.5 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 33.7 |
| 23 (C) | 18.1 |
| 24 (CH3) | 12.3 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25 |
| 28 (C) | 180.7 |
| 29 (CH3) | 29 |
| 30 (CH3) | 25 |
