Spektraris NMR
Heteroscyphone A
Common Name: Heteroscyphone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-7-20(5,26)16-17(27-12(3)23)22(18(25)28-16)11(2)8-9-19(4)14(22)10-13(24)15-21(19,6)29-15/h7,11,14-18,25-26H,1,8-10H2,2-6H3/t11-,14+,15-,16-,17+,18+,19-,20-,21-,22+/m0/s1
InChIKey: InChIKey=HQMWDWMOOTXYIX-INXFFXEMSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hashimoto, T., Nakamura, I., Tori, M., Takaoka, S., Asakawa, Y. Phytochemistry (1995) 38, 119-27
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) | 36.9 |
| 2 (C) | 201.2 |
| 3 (CH) | 63.4 |
| 4 (C) | 72.2 |
| 5 (C) | 37.9 |
| 6 (CH2) | 35.9 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 35.9 |
| 9 (C) | 56.5 |
| 10 (CH) | 50.3 |
| 11 (CH) | 74.4 |
| 12 (CH) | 87.3 |
| 13 (C) | 73.3 |
| 14 (CH) | 139.4 |
| 15 (CH2) | 115.3 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 19.5 |
| 19 (CH3) | 16.5 |
| 20 (CH) | 101.2 |
| 11a (C) | 169.9 |
| 11b (CH3) | 20.7 |
