Spektraris NMR
ent-12-oxo-2,3-secobeyer-15-ene-2,3-dioic acid
Common Name: ent-12-oxo-2,3-secobeyer-15-ene-2,3-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-13-10-22-8-7-16(20(2,3)19(25)27-6)21(4,12-18(24)26-5)17(22)9-15(23)14(13)11-22/h10,14,16-17H,7-9,11-12H2,1-6H3/t14-,16+,17-,21+,22-/m0/s1
InChIKey: InChIKey=YXSGSDFSYGAQFC-BSFXZMFCSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Konishi, T., Yamazoe, K., Konoshima, T., Fujiwara, Y. Phytochemistry (2003) 64, 835-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.4 |
| 2 (C) | 171.3 |
| 3 (C) | 179.5 |
| 4 (C) | 45.8 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 35.4 |
| 8 (C) | 49.4 |
| 9 (CH) | 48.2 |
| 10 (C) | 41 |
| 11 (CH2) | 36.3 |
| 12 (C) | 211.5 |
| 13 (CH) | 57 |
| 14 (CH2) | 57.6 |
| 15 (CH) | 139.1 |
| 16 (C) | 36.3 |
| 17 (CH3) | 17 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 23.5 |
| 20 (CH3) | 17.9 |
| 2a (CH3) | 51 |
| 3a (CH3) | 51.9 |
