Spektraris NMR
13a,18-Dihydroxyhypoestenone
Common Name: 13a,18-Dihydroxyhypoestenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-10-6-7-14-16(19(3,4)24)17(22)18(23)20(14,5)9-13-11(2)15(21)8-12(10)13/h6,12,14,16-17,22,24H,7-9H2,1-5H3/b10-6-/t12-,14+,16-,17-,20-/m0/s1
InChIKey: InChIKey=WOHHMOAZOPRQDC-FVJSENIPSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El Sayed, K.A. J Nat Prod (2001) 64, 373-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Fusicoccanes; 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) | 45 |
| 2 (CH2) | 36.7 |
| 3 (C) | 173.2 |
| 4 (C) | 139.1 |
| 5 (C) | 209 |
| 6 (CH2) | 37.4 |
| 7 (CH) | 42.8 |
| 8 (C) | 135.5 |
| 9 (CH) | 127.8 |
| 10 (CH2) | 27.1 |
| 11 (CH) | 57.7 |
| 12 (CH) | 47.6 |
| 13 (CH) | 84.8 |
| 14 (C) | 216 |
| 15 (CH3) | 12.3 |
| 16 (CH3) | 9 |
| 17 (CH3) | 19.1 |
| 18 (C) | 72.4 |
| 19 (CH3) | 28.9 |
| 20 (CH3) | 28.8 |
