Spektraris NMR
1-Oxocryptotanshinone
Common Name: 1-Oxocryptotanshinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKey: InChIKey=FUWBBIWGILZPAC-VIFPVBQESA-N
Formula: C19H18O4
Molecular Weight: 310.344535
Exact Mass: 310.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sairafianpour, M., Christensen, J., Staerk, D., Budnik, B.A., Kharazmi, A., Bagherzadeh, K., Jaroszewski, J.W. J Nat Prod (2001) 64, 1398-403
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (C) | 198.92 |
| 2 (CH2) | 36.22 |
| 3 (CH2) | 36.49 |
| 4 (C) | 35.23 |
| 5 (C) | 155.7 |
| 6 (CH) | 129.67 |
| 7 (CH) | 126.6 |
| 8 (C) | 127.29 |
| 9 (C) | 128.29 |
| 10 (C) | 138.04 |
| 11 (C) | 183.7 |
| 12 (C) | 177.39 |
| 13 (C) | 119.37 |
| 14 (C) | 169.1 |
| 15 (CH) | 34.69 |
| 16 (CH2) | 81.86 |
| 17 (CH3) | 18.84 |
| 18 (CH3) | 28.77 |
| 19 (CH3) | 28.77 |
