Spektraris NMR
Methyl (3b,18a,19a,20S,28S)-3-Hydroxy-28-methoxy-20,28-epoxyursan-23-oate
Common Name: Methyl (3b,18a,19a,20S,28S)-3-Hydroxy-28-methoxy-20,28-epoxyursan-23-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-19-24-20-9-10-21-27(2)13-12-23(33)31(6,25(34)35-7)22(27)11-14-29(21,4)28(20,3)15-17-32(24)18-16-30(19,5)37-26(32)36-8/h19-24,26,33H,9-18H2,1-8H3/t19-,20+,21+,22+,23-,24+,26?,27+,28+,29+,30+,31+,32+/m0/s1
InChIKey: InChIKey=UCJJRIQZNCQTPE-CQLDHLPMSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, P.L., Lin, C.J., Zhang, Z.X., Jia, Z.J. Chem Biodivers (2007) 4, 17-24
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 39.6 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 78.5 |
| 4 (C) | 49.2 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 21.7 |
| 7 (CH2) | 33.9 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.6 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 39.5 |
| 14 (C) | 40.7 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 27.8 |
| 17 (C) | 35.4 |
| 18 (CH) | 48.7 |
| 19 (CH) | 42.8 |
| 20 (C) | 74.2 |
| 21 (CH2) | 27.6 |
| 22 (CH2) | 28.5 |
| 23 (CH3) | 23.7 |
| 24 (C) | 178.7 |
| 25 (CH3) | 14 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.7 |
| 28 (CH) | 100.4 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 25.2 |
| 24a (CH3) | 55.4 |
| 28a (CH3) | 51.4 |
