Spektraris NMR
lup-20(29)-en-3,6-dione-27,28-dioic acid
Common Name: lup-20(29)-en-3,6-dione-27,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-16(2)17-9-12-29(24(33)34)13-14-30(25(35)36)18(22(17)29)7-8-20-27(5)11-10-21(32)26(3,4)23(27)19(31)15-28(20,30)6/h17-18,20,22-23H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,20+,22+,23-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=CBDYJCSZOXAWEV-PJIMQDOPSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Prakash, C.V., Wang, L.T., Chien, C.T., Hung, M.C. J Nat Prod (2002) 65, 1052-5
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) | 41 |
| 2 (CH2) | 33.6 |
| 3 (C) | 214.6 |
| 4 (C) | 42.8 |
| 5 (CH) | 65.2 |
| 6 (C) | 211.7 |
| 7 (CH2) | 51.9 |
| 8 (C) | 38 |
| 9 (CH) | 50.5 |
| 10 (C) | 31.9 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 24.9 |
| 13 (CH) | 38 |
| 14 (C) | 56 |
| 15 (CH2) | 24.6 |
| 16 (CH2) | 24.1 |
| 17 (C) | 56 |
| 18 (CH) | 49.2 |
| 19 (CH) | 46.7 |
| 20 (C) | 150 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 36.8 |
| 23 (CH3) | 24.9 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 16.9 |
| 27 (C) | 177.5 |
| 28 (C) | 179.3 |
| 29 (CH2) | 110 |
| 30 (CH3) | 19.2 |
