Spektraris NMR
Zythiostromic acid B
Common Name: Zythiostromic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-5-13-12(2)6-7-15-14(13)8-11-20(24)18(15,3)10-9-16(21)19(20,4)17(22)23/h5,13-16,21,24H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,16+,18+,19+,20-/m0/s1
InChIKey: InChIKey=GZPZXZUSDUMPJQ-AAAYVJRRSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ayer, W.A., Khan, A.Q. Phytochemistry (1996) 42, 1647-52
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) | 29.4 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 74.1 |
| 4 (C) | 52.2 |
| 5 (C) | 80.8 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 26.3 |
| 8 (CH) | 41.4 |
| 9 (CH) | 42 |
| 10 (C) | 42.9 |
| 11 (CH2) | 28.2 |
| 12 (CH2) | 32.6 |
| 13 (C) | 153.9 |
| 14 (CH) | 56.2 |
| 15 (CH) | 139.3 |
| 16 (CH2) | 115.9 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 20.6 |
| 19 (C) | 184 |
| 20 (CH3) | 15.5 |
