Spektraris NMR
Methyl zythiostromate A diacetate
Common Name: Methyl zythiostromate A diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O7/c1-8-17-14(2)9-10-19-18(17)13-21(32-16(4)27)25(29)23(19,5)12-11-20(31-15(3)26)24(25,6)22(28)30-7/h8,17-21,29H,1-2,9-13H2,3-7H3/t17-,18-,19-,20+,21+,23+,24+,25-/m0/s1
InChIKey: InChIKey=ITCQRVZYZGBOST-QIHPEVRFSA-N
Formula: C25H36O7
Molecular Weight: 448.550099
Exact Mass: 448.246104
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) | 31.3 |
| 2 (CH2) | 25.1 |
| 3 (CH) | 77.6 |
| 4 (C) | 53 |
| 5 (C) | 80 |
| 6 (CH) | 72.2 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 36.9 |
| 9 (CH) | 42.8 |
| 10 (C) | 42.3 |
| 11 (CH2) | 28.6 |
| 12 (CH2) | 32.6 |
| 13 (C) | 153.3 |
| 14 (CH) | 55.4 |
| 15 (CH) | 138.7 |
| 16 (CH2) | 116.5 |
| 17 (CH2) | 107.2 |
| 18 (CH3) | 19.1 |
| 19 (C) | 182 |
| 20 (CH3) | 17.7 |
| 3a (C) | 171.7 |
| 3b (CH3) | 21.8 |
| 6a (C) | 172.4 |
| 6b (CH3) | 21 |
| 19a (CH3) | 52.8 |
