Spektraris NMR
Heteroscyphic acid A
Common Name: Heteroscyphic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-14(2)10-13-20(18(21)22)16(4)11-12-19(5)15(3)8-7-9-17(19)20/h6,8,10,16-17H,1,7,9,11-13H2,2-5H3,(H,21,22)/b14-10+/t16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=GYSCVVITPWEGKZ-KFVHJBEVSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaudhury, S., Li, S., Donaldson, W.A. Chem Commun (2006) 0, 2069-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 21 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 121.5 |
| 4 (C) | 144 |
| 5 (C) | 39.2 |
| 6 (CH2) | 37.6 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 37.8 |
| 9 (C) | 51.5 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 32.6 |
| 12 (CH) | 127.1 |
| 13 (C) | 137 |
| 14 (CH) | 142.1 |
| 15 (CH2) | 111.8 |
| 16 (CH3) | 12.6 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 18 |
| 20 (C) | 183.1 |
