Spektraris NMR
2alpha,3beta,23-Trihydroxyurs-12,19(29)-diene-28-oic acid
Common Name: 2alpha,3beta,23-Trihydroxyurs-12,19(29)-diene-28-oic acid
Synonyms: 2alpha,3beta,23-Trihydroxyurs-12,19(29)-diene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17,20-24,31-33H,2,8-16H2,1,3-6H3,(H,34,35)/t17-,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=BWBFXBKJKAGLJS-DNGLFHJOSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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) | 67.5 |
| 3 (CH) | 78.8 |
| 4 (C) | 42 |
| 5 (CH) | 49.04 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.3 |
| 9 (CH) | 47.3 |
| 10 (C) | 38 |
| 11 (CH2) | 25.02 |
| 12 (CH) | 127.04 |
| 13 (C) | 140.5 |
| 14 (C) | 41 |
| 15 (CH2) | 28.51 |
| 16 (CH2) | 25.3 |
| 17 (C) | 48 |
| 18 (CH) | 51.01 |
| 19 (C) | 154.09 |
| 20 (CH) | 38.1 |
| 21 (CH2) | 32.52 |
| 22 (CH2) | 38.02 |
| 23 (CH2) | 64.1 |
| 24 (CH3) | 14.5 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17 |
| 27 (CH3) | 24.1 |
| 28 (C) | 181.7 |
| 29 (CH2) | 107.9 |
| 30 (CH3) | 21.51 |
