Spektraris NMR
22,23-Epoxytirucalla-7-ene-3beta,24,25-triol
Common Name: 22,23-Epoxytirucalla-7-ene-3beta,24,25-triol
Synonyms: 22,23-Epoxytirucalla-7-ene-3beta,24,25-triol
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21-25,31-33H,10-16H2,1-8H3/t17-,18+,19+,21+,22+,23?,24?,25?,28-,29+,30-/m1/s1
InChIKey: InChIKey=IAGTZTQYAGDHBI-FHGHLBCSSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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) | 24 |
| 7 (CH) | 118.3 |
| 8 (C) | 145.3 |
| 9 (CH) | 49 |
| 10 (C) | 35 |
| 11 (CH2) | 18 |
| 12 (CH2) | 33.5 |
| 13 (C) | 44 |
| 14 (C) | 50.8 |
| 15 (CH2) | 34.2 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 38.8 |
| 21 (CH3) | 16.4 |
| 22 (CH) | 60.4 |
| 23 (CH) | 58.9 |
| 24 (CH) | 74.1 |
| 25 (C) | 72.8 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 27.6 |
