Spektraris NMR
24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol
Common Name: 24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol
Synonyms: 24,25-Epoxy-3-oxotirucalla-8-ene-6beta,23-diol
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(15-22(32)25-27(4,5)34-25)18-9-13-30(8)20-16-21(31)24-26(2,3)23(33)11-12-28(24,6)19(20)10-14-29(18,30)7/h17-18,21-22,24-25,31-32H,9-16H2,1-8H3/t17-,18-,21+,22?,24-,25?,28+,29-,30+/m0/s1
InChIKey: InChIKey=RLYRIXWFLVRXIA-OFXKBLDHSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grosvenor, S.N., Mascoll, K., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2006) 69, 1315-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 34.7 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.6 |
| 4 (C) | 46.6 |
| 5 (CH) | 44.3 |
| 6 (CH) | 79.2 |
| 7 (CH2) | 24.1 |
| 8 (C) | 131.1 |
| 9 (C) | 148.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 22 |
| 12 (CH2) | 30.6 |
| 13 (C) | 49.9 |
| 14 (C) | 44.1 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 18.7 |
| 20 (CH) | 33.8 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 69.2 |
| 24 (CH) | 68.4 |
| 25 (C) | 60.3 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 19.8 |
| 28 (CH3) | 27 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 25.7 |
