Spektraris NMR
(3beta)-3,12-dihydroxy-13-methylpodocarpa-5,8,11,13-tetraen-7-one
Common Name: (3beta)-3,12-dihydroxy-13-methylpodocarpa-5,8,11,13-tetraen-7-one
Synonyms: (3beta)-3,12-dihydroxy-13-methylpodocarpa-5,8,11,13-tetraen-7-one
CAS Registry Number:
InChI: InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3/t16-,18+/m0/s1
InChIKey: InChIKey=XKTPGZPMUGPQQP-FUHWJXTLSA-N
Formula: C18H22O3
Molecular Weight: 286.366158
Exact Mass: 286.156895
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yuan, W., Lu, Z., Liu, Y., Meng, C., Cheng, K.D., Zhu, P. Chem Pharm Bull (2005) 53, 1610-2
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 35.52 |
| 2 (CH2) | 32.74 |
| 3 (CH) | 76.38 |
| 4 (C) | 43.95 |
| 5 (C) | 171.93 |
| 6 (CH) | 125.89 |
| 7 (C) | 184.32 |
| 8 (C) | 123.53 |
| 9 (C) | 154.6 |
| 10 (C) | 41.32 |
| 11 (CH) | 111.4 |
| 12 (C) | 160.62 |
| 13 (C) | 124.41 |
| 14 (CH) | 129.11 |
| 15 (CH3) | 15.71 |
| 18 (CH3) | 23.09 |
| 19 (CH3) | 27.91 |
| 20 (CH3) | 32.74 |
