Spektraris NMR
3β,6β,19α,24-tetrahydroxyurs-12-en-28-oic acid
Common Name: 3β,6β,19α,24-tetrahydroxyurs-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-20-25(2)11-10-21(33)26(3,16-31)23(25)19(32)15-28(20,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,25-,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=HORZOECJYCGUOG-PALHLVIVSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fang, S.Y., He, Z.S., Fan, G.J. J Nat Prod (1996) 59, 304-7
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) | 41.3 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 73.9 |
| 4 (C) | 44 |
| 5 (CH) | 49.9 |
| 6 (CH) | 68 |
| 7 (CH2) | 41.6 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 128.5 |
| 13 (C) | 139.5 |
| 14 (C) | 42.5 |
| 15 (CH2) | 29.4 |
| 16 (CH2) | 26.7 |
| 17 (C) | 48.5 |
| 18 (CH) | 54.9 |
| 19 (C) | 73 |
| 20 (CH) | 42.8 |
| 21 (CH2) | 27.1 |
| 22 (CH2) | 38.6 |
| 23 (CH3) | 14.6 |
| 24 (CH2) | 68 |
| 25 (CH3) | 17.6 |
| 26 (CH3) | 18.5 |
| 27 (CH3) | 24.8 |
| 28 (C) | 180.9 |
| 29 (CH3) | 27.3 |
| 30 (CH3) | 16.8 |
