Spektraris NMR
(8S,13S)-13-Methyl-15-oxo-17-nor-15,16-secokaurane-16,18-dioic acid 16-methyl ester
Common Name: (8S,13S)-13-Methyl-15-oxo-17-nor-15,16-secokaurane-16,18-dioic acid 16-methyl ester
Synonyms: (8S,13S)-13-Methyl-15-oxo-17-nor-15,16-secokaurane-16,18-dioic acid 16-methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-18(17(25)26-4)10-6-15-19(2)8-5-9-20(3,16(23)24)14(19)7-11-21(15,12-18)13-22/h13-15H,5-12H2,1-4H3,(H,23,24)/t14-,15-,18-,19+,20+,21+/m0/s1
InChIKey: InChIKey=KQWVDSAWYJGJQI-KIOJNPINSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chou, B.H., Yang, L.M., Chang, S.F., Hsu, F.L., Lo, C.H., Liaw, J.H., Liu, P.C., Lin, S.J. J Nat Prod (2008) 71, 602-7
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) | 39.3 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.5 |
| 4 (C) | 43.7 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 37.3 |
| 8 (C) | 50 |
| 9 (CH) | 57.2 |
| 10 (C) | 38.1 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 36.3 |
| 13 (C) | 41.9 |
| 14 (CH2) | 48.9 |
| 15 (CH) | 206.1 |
| 16 (C) | 177.3 |
| 17 (CH3) | 29.4 |
| 18 (CH3) | 29 |
| 19 (C) | 179.7 |
| 20 (CH3) | 13.7 |
| 16a (CH3) | 51.6 |
