Spektraris NMR
ent-2,3-Seco-beyer-15-ene-2,3-dioic acid
Common Name: ent-2,3-Seco-beyer-15-ene-2,3-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17(2,16(23)24)13-6-8-20-10-9-18(3,12-20)7-5-14(20)19(13,4)11-15(21)22/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,21,22)(H,23,24)/t13-,14+,18-,19-,20+/m1/s1
InChIKey: InChIKey=VZEYWVSTCVDYGB-ALUGONPKSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munkombwe, N.M., Hughes, N.A., Duri, Z.J. Phytochemistry (1998) 47, 1653-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 45.6 |
| 2 (C) | 179.3 |
| 3 (C) | 187.9 |
| 4 (C) | 39.5 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 36.8 |
| 8 (C) | 48.8 |
| 9 (CH) | 48.9 |
| 10 (C) | 41.2 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 33 |
| 13 (C) | 43.5 |
| 14 (CH2) | 61.1 |
| 15 (CH) | 137.1 |
| 16 (CH) | 135.2 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 19.6 |
