Spektraris NMR
lup-12-en-15α,19β-diol-3,11-dioxo-28-oic acid
Common Name: lup-12-en-15α,19β-diol-3,11-dioxo-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O6/c1-16(2)30(36)13-12-29(24(34)35)15-21(33)28(7)17(22(29)30)14-18(31)23-26(5)10-9-20(32)25(3,4)19(26)8-11-27(23,28)6/h14,16,19,21-23,33,36H,8-13,15H2,1-7H3,(H,34,35)/t19-,21-,22+,23+,26-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=HLRDOIYRWRHJHU-ABELNVMSSA-N
Formula: C30H44O6
Molecular Weight: 500.6679
Exact Mass: 500.313789
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
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) | 40.1 |
| 2 (CH2) | 34.4 |
| 3 (C) | 216 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 34.4 |
| 8 (C) | 47.3 |
| 9 (CH) | 61 |
| 10 (C) | 37.2 |
| 11 (C) | 199.7 |
| 12 (CH) | 133.5 |
| 13 (C) | 166.9 |
| 14 (C) | 50.3 |
| 15 (CH) | 68 |
| 16 (CH2) | 36.7 |
| 17 (C) | 47.1 |
| 18 (CH) | 55.6 |
| 19 (C) | 72.6 |
| 20 (CH) | 42 |
| 21 (CH2) | 36.1 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 26.5 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 19.5 |
| 27 (CH3) | 16.7 |
| 28 (C) | 180.1 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 26.5 |
