Spektraris NMR
2a,3b-dihydroxy-taraxastan-28,20b-olide
Common Name: 2a,3b-dihydroxy-taraxastan-28,20b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17-22-18-8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)10-11-28(21,6)27(18,5)12-14-30(22)15-13-29(17,7)34-24(30)33/h17-23,31-32H,8-16H2,1-7H3/t17-,18+,19+,20-,21+,22+,23-,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=LOQAFRKIRFCVFJ-SFOLIJKKSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mandal, D., Panda, N., Kumar, S., Banerjee, S., Mandal, N.B., Sahu, N.P. Phytochemistry (2006) 67, 183-90
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 48.2 |
| 2 (CH) | 68.9 |
| 3 (CH) | 83.8 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.9 |
| 10 (C) | 38.7 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 25.4 |
| 13 (CH) | 43.2 |
| 14 (C) | 41.4 |
| 15 (CH2) | 27.7 |
| 16 (CH2) | 28.1 |
| 17 (C) | 42.2 |
| 18 (CH) | 48.4 |
| 19 (CH) | 42.4 |
| 20 (C) | 83.9 |
| 21 (CH2) | 27.3 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.4 |
| 28 (C) | 176.7 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 24.1 |
