Spektraris NMR
Heteroscyphone C
Common Name: Heteroscyphone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-7-21(6,25)18-19(27-15(4)23)22(12-26-18)13(2)8-9-20(5)14(3)10-16(24)11-17(20)22/h7,10,13,17-19,25H,1,8-9,11-12H2,2-6H3/t13-,17+,18-,19+,20+,21-,22-/m0/s1
InChIKey: InChIKey=VQKYCOGSSNIRIC-IMAKWLNTSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 35.2 |
| 2 (C) | 198.8 |
| 3 (CH) | 126 |
| 4 (C) | 170.5 |
| 5 (C) | 40 |
| 6 (CH2) | 35.3 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 35 |
| 9 (C) | 51.8 |
| 10 (CH) | 45.9 |
| 11 (CH) | 76.4 |
| 12 (CH) | 85.9 |
| 13 (C) | 74.4 |
| 14 (CH) | 139.6 |
| 15 (CH2) | 114.4 |
| 16 (CH3) | 25 |
| 17 (CH3) | 18.3 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 17.8 |
| 20 (CH2) | 69.4 |
| 11a (C) | 170 |
| 11b (CH3) | 20.9 |
