Spektraris NMR
24,25-Epoxytirucalla-7-ene-3beta,23-diol
Common Name: 24,25-Epoxytirucalla-7-ene-3beta,23-diol
Synonyms: 24,25-Epoxytirucalla-7-ene-3beta,23-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-25,31-32H,10-17H2,1-8H3/t18-,19-,20-,22?,23-,24-,25?,28+,29-,30+/m0/s1
InChIKey: InChIKey=UMTABACRBSGXGK-DYJKIZNQSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luo, X.D., Wu, S.H., Ma, Y.B., Wu, D.G. Phytochemistry (2000) 54, 801-5
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) | 37.2 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 79.2 |
| 4 (C) | 39 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 23.9 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.6 |
| 9 (CH) | 49 |
| 10 (C) | 35 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 33.8 |
| 13 (C) | 43.6 |
| 14 (C) | 51.2 |
| 15 (CH2) | 34 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 53.3 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 19.9 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 69.3 |
| 24 (CH) | 68.5 |
| 25 (C) | 60.3 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 19.8 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.2 |
