Spektraris NMR
(23R,24S)-24,25-Epoxy-7alpha,23-dihydroxytirucalla-8-ene-3-one
Common Name: (23R,24S)-24,25-Epoxy-7alpha,23-dihydroxytirucalla-8-ene-3-one
Synonyms: (23R,24S)-24,25-Epoxy-7alpha,23-dihydroxytirucalla-8-ene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-14-30(8)24-19(10-13-29(18,30)7)28(6)12-11-23(33)26(2,3)22(28)16-20(24)31/h17-18,20-22,25,31-32H,9-16H2,1-8H3/t17-,18-,20+,21+,22-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=GJQAXDFABWYHKE-BPLGQRTHSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H., Heilmann, J., Rali, T., Sticher, O. J Nat Prod (2001) 64, 159-63
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) | 34.9 |
| 2 (CH2) | 34.3 |
| 3 (C) | 217.7 |
| 4 (C) | 46.6 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 29.8 |
| 7 (CH) | 64.9 |
| 8 (C) | 135.9 |
| 9 (C) | 138.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 30.6 |
| 13 (C) | 43.9 |
| 14 (C) | 50 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 15.7 |
| 20 (CH) | 33.9 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 69.2 |
| 24 (CH) | 68.4 |
| 25 (C) | 60.3 |
| 26 (CH3) | 19.8 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 21.1 |
| 30 (CH3) | 25.6 |
