Spektraris NMR
(3β,5ξ,6β,18ξ,19α)-3,6,19,23-Tetrahydroxyolean-12-en-28-oic acid
Common Name: (3β,5ξ,6β,18ξ,19α)-3,6,19,23-Tetrahydroxyolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-19-26(3)10-9-20(33)27(4,16-31)22(26)18(32)15-29(19,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20+,21-,22-,23+,26-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=AWZFLHHIQVOKDV-JHHOYTOVSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Khan A., Sticher, Ralli T. J Nat Prod (1993) 56, 2163
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 28.6 |
| 3 (CH) | 73.4 |
| 4 (C) | 43.9 |
| 5 (CH) | 49.7 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 40.8 |
| 8 (C) | 39.3 |
| 9 (CH) | 49 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.7 |
| 12 (CH) | 123.8 |
| 13 (C) | 144.7 |
| 14 (C) | 42.6 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 27.9 |
| 17 (C) | 46.3 |
| 18 (CH) | 45 |
| 19 (CH) | 81.6 |
| 20 (C) | 35.7 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 33.9 |
| 23 (CH2) | 67.3 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 24.8 |
| 28 (C) | 180 |
| 29 (CH3) | 25 |
| 30 (CH3) | 28.8 |
