Spektraris NMR
3alpha-Hydroxylup-20(29)-ene-23,28-dioic acid
Common Name: 3alpha-Hydroxylup-20(29)-ene-23,28-dioic acid
Synonyms: 3alpha-Hydroxylup-20(29)-ene-23,28-dioic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(2)18-9-14-30(25(34)35)16-15-27(4)19(23(18)30)7-8-20-26(3)12-11-22(31)29(6,24(32)33)21(26)10-13-28(20,27)5/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18-,19+,20+,21+,22+,23+,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=NSLGONDVJPFEEN-JOPFMIIHSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C+P
MHz:
Calibration:
NMR references: 13C - Preiss A., Adam M.L.G., Budesinsky M. Magn Reson Chem (1986) 24, 915
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 32.7 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 72.5 |
| 4 (C) | 51.6 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 38.4 |
| 14 (C) | 42.8 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 32.7 |
| 17 (C) | 56.4 |
| 18 (CH) | 49.5 |
| 19 (CH) | 47.4 |
| 20 (C) | 151 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.4 |
| 23 (C) | 180 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 14.8 |
| 28 (C) | 178.9 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.4 |
