Spektraris NMR
Zythiostromic acid A diacetate
Common Name: Zythiostromic acid A diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O7/c1-7-16-13(2)8-9-18-17(16)12-20(31-15(4)26)24(29)22(18,5)11-10-19(30-14(3)25)23(24,6)21(27)28/h7,16-20,29H,1-2,8-12H2,3-6H3,(H,27,28)/t16-,17-,18-,19+,20+,22+,23+,24-/m0/s1
InChIKey: InChIKey=WHOQNOCCXNHMSA-AUTBKPHDSA-N
Formula: C24H34O7
Molecular Weight: 434.523482
Exact Mass: 434.230453
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) | 31.5 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 77.1 |
| 4 (C) | 54 |
| 5 (C) | 78.4 |
| 6 (CH) | 72 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 37 |
| 9 (CH) | 42.8 |
| 10 (C) | 42.5 |
| 11 (CH2) | 28.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 153.4 |
| 14 (CH) | 55.5 |
| 15 (CH) | 138.8 |
| 16 (CH2) | 116.4 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 22.8 |
| 19 (C) | 184 |
| 20 (CH3) | 17.9 |
| 3a (C) | 171.42 |
| 3b (CH3) | 21.7 |
| 6a (C) | 172.3 |
| 6b (CH3) | 21.1 |
