Spektraris NMR
2alpha,3beta-Dihydroxy-23-acetoxyurs-12,19(29)-diene-28-oic acid
Common Name: 2alpha,3beta-Dihydroxy-23-acetoxyurs-12,19(29)-diene-28-oic acid
Synonyms: 2alpha,3beta-Dihydroxy-23-acetoxyurs-12,19(29)-diene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-18-10-13-32(27(36)37)15-14-30(6)21(25(32)19(18)2)8-9-24-28(4)16-22(34)26(35)29(5,17-38-20(3)33)23(28)11-12-31(24,30)7/h8,18,22-26,34-35H,2,9-17H2,1,3-7H3,(H,36,37)/t18-,22-,23-,24-,25+,26+,28+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=FAQRRKHUNJQELT-YFNQQAJUSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De Tommasi, N., Rastrelli, L., Lauro, M.R., Aquino, R. Phytochemistry (1998) 49, 1123-5
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) | 49 |
| 2 (CH) | 68 |
| 3 (CH) | 77.8 |
| 4 (C) | 41.03 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 33 |
| 8 (C) | 40.2 |
| 9 (CH) | 47.1 |
| 10 (C) | 37.52 |
| 11 (CH2) | 24.8 |
| 12 (CH) | 128.8 |
| 13 (C) | 140 |
| 14 (C) | 41 |
| 15 (CH2) | 28 |
| 16 (CH2) | 26.03 |
| 17 (C) | 48.02 |
| 18 (CH) | 51.01 |
| 19 (C) | 154 |
| 20 (CH) | 38.1 |
| 21 (CH2) | 32.46 |
| 22 (CH2) | 38 |
| 23 (CH2) | 67.05 |
| 24 (CH3) | 14 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 23.8 |
| 28 (C) | 182 |
| 29 (CH2) | 107.72 |
| 30 (CH3) | 21.45 |
| 23a (C) | 172.2 |
| 23b (CH3) | 21.4 |
