Spektraris NMR
3beta,11alpha,21alphatrihydroxyurs-12-ene
Common Name: 3beta,11alpha,21alphatrihydroxyurs-12-ene
Synonyms: 3beta,11alpha,21alphatrihydroxyurs-12-ene
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-17-18(2)24-19-15-20(31)25-28(6)11-10-23(33)26(3,4)22(28)9-12-30(25,8)29(19,7)14-13-27(24,5)16-21(17)32/h15,17-18,20-25,31-33H,9-14,16H2,1-8H3/t17-,18-,20+,21+,22-,23-,24-,25+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=BSXLRHHJBCBOQE-KJSJJOHBSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Altiner, E.N., Gozcu, S., Halfon, B., Aydogmus, Z., Pezzuto, J.M., Zhou, B.N., Kingston, D.G. Planta Med (2003) 69, 464-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 34.55 |
| 2 (CH2) | 28.04 |
| 3 (CH) | 78.33 |
| 4 (C) | 44.86 |
| 5 (CH) | 53.69 |
| 6 (CH2) | 18.83 |
| 7 (CH2) | 36.24 |
| 8 (C) | 43.02 |
| 9 (CH) | 56.96 |
| 10 (C) | 39.05 |
| 11 (CH) | 67.7 |
| 12 (CH) | 128.64 |
| 13 (C) | 144.79 |
| 14 (C) | 45.37 |
| 15 (CH2) | 32.17 |
| 16 (CH2) | 29.03 |
| 17 (C) | 30.65 |
| 18 (CH) | 59.32 |
| 19 (CH) | 40.67 |
| 20 (CH) | 40.52 |
| 21 (CH) | 76.56 |
| 22 (CH2) | 42.53 |
| 23 (CH3) | 29.29 |
| 24 (CH3) | 13.43 |
| 25 (CH3) | 15.79 |
| 26 (CH3) | 18.55 |
| 27 (CH3) | 23.37 |
| 28 (CH3) | 28.56 |
| 29 (CH3) | 18.18 |
| 30 (CH3) | 21.77 |
