Spektraris NMR
(24E)-26-carboxy-3,4-seco-cycloarta-4(29),24-dien-3-oate
Common Name: (24E)-26-carboxy-3,4-seco-cycloarta-4(29),24-dien-3-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-20(2)23-11-12-25-29(6)15-13-24(21(3)9-8-10-22(4)27(33)34)28(29,5)17-18-31(25)19-30(23,31)16-14-26(32)35-7/h10,21,23-25H,1,8-9,11-19H2,2-7H3,(H,33,34)/b22-10+/t21-,23+,24-,25+,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=PDSDFKBIZPYPJK-YFSQMRILSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cabrera, G.M., Gallo, M., Seldes, A.M. J Nat Prod (1996) 59, 343-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 29.1 |
| 2 (CH2) | 31.5 |
| 3 (C) | 174.4 |
| 4 (C) | 149.5 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 27.8 |
| 7 (CH2) | 25 |
| 8 (CH) | 47.7 |
| 9 (C) | 21.3 |
| 10 (C) | 27.1 |
| 11 (CH2) | 27 |
| 12 (CH2) | 33.1 |
| 13 (C) | 45.2 |
| 14 (C) | 49 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.1 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 26 |
| 24 (CH) | 145.8 |
| 25 (C) | 126.6 |
| 26 (C) | 172.9 |
| 27 (CH3) | 12 |
| 28 (CH2) | 111.5 |
| 29 (CH3) | 19.8 |
| 30 (CH3) | 19.3 |
| 3a (CH3) | 51.5 |
