Spektraris NMR
3,4-seco-3-norlup-4(23),20(29)-dien-2,28-dioic acid
Common Name: 3,4-seco-3-norlup-4(23),20(29)-dien-2,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O4/c1-17(2)19-10-13-29(25(32)33)15-14-27(6)21(24(19)29)8-9-22-26(5,16-23(30)31)20(18(3)4)11-12-28(22,27)7/h19-22,24H,1,3,8-16H2,2,4-7H3,(H,30,31)(H,32,33)/t19-,20-,21+,22+,24+,26-,27+,28+,29-/m0/s1
InChIKey: InChIKey=IRRPUWFFVIPXCD-HMUKLJSASA-N
Formula: C29H44O4
Molecular Weight: 456.658354
Exact Mass: 456.32396
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, B.J., Gao, B.C., Peng, S.L., Liao, X., Ding, L.S. Chin J Chem (2005) 23, 933
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) | 42.8 |
| 2 (C) | 173.1 |
| 4 (C) | 147 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 32.1 |
| 8 (C) | 40.1 |
| 9 (CH) | 41 |
| 10 (C) | 40.3 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.4 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 31.6 |
| 17 (C) | 55.4 |
| 18 (CH) | 46.5 |
| 19 (CH) | 48.4 |
| 20 (C) | 150.3 |
| 21 (CH2) | 29.2 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 114.4 |
| 24 (CH3) | 22.6 |
| 25 (CH3) | 19.4 |
| 26 (CH3) | 14.3 |
| 27 (CH3) | 15.5 |
| 28 (C) | 177.2 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19 |
