Spektraris NMR
Methyl zythiostromate A
Common Name: Methyl zythiostromate A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-6-13-12(2)7-8-15-14(13)11-17(23)21(25)19(15,3)10-9-16(22)20(21,4)18(24)26-5/h6,13-17,22-23,25H,1-2,7-11H2,3-5H3/t13-,14-,15-,16+,17+,19+,20+,21-/m0/s1
InChIKey: InChIKey=NGRDNQAGMSPCOG-BTMSUQBASA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Riehl, C.A., Pinto, A.C. Phytochemistry (2000) 53, 917-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 28.8 |
| 2 (CH2) | 27 |
| 3 (CH) | 73.1 |
| 4 (C) | 51.9 |
| 5 (C) | 79.9 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 34.7 |
| 9 (CH) | 41.7 |
| 10 (C) | 41.3 |
| 11 (CH2) | 27.7 |
| 12 (CH2) | 31.6 |
| 13 (C) | 152.1 |
| 14 (CH) | 54.2 |
| 15 (CH) | 139.7 |
| 16 (CH2) | 116.1 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 20.7 |
| 19 (C) | 179.5 |
| 20 (CH3) | 15.8 |
| 19a (CH3) | 53.3 |
