Spektraris NMR
Heteroscyphone D
Common Name: Heteroscyphone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-7-21(6,27)17-18(28-13(4)23)22(19(26)29-17)12(3)15(25)10-20(5)11(2)8-14(24)9-16(20)22/h7-8,12,15-19,25-27H,1,9-10H2,2-6H3/t12-,15-,16+,17-,18+,19+,20+,21-,22+/m0/s1
InChIKey: InChIKey=PNMCHRTWOOSOEC-NWNOPQRKSA-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) | 38 |
| 2 (C) | 198.8 |
| 3 (CH) | 125.2 |
| 4 (C) | 170.6 |
| 5 (C) | 40.1 |
| 6 (CH2) | 42.8 |
| 7 (CH) | 72.9 |
| 8 (CH) | 40 |
| 9 (C) | 55.8 |
| 10 (CH) | 47.3 |
| 11 (CH) | 74.5 |
| 12 (CH) | 87.5 |
| 13 (C) | 73.1 |
| 14 (CH) | 140.9 |
| 15 (CH2) | 101.5 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 20.7 |
| 20 (CH) | 101.5 |
| 11a (C) | 169.5 |
| 11b (CH3) | 20.4 |
