Spektraris NMR
6a,12a,13-Trihydroxystemodan-2-one
Common Name: 6a,12a,13-Trihydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-17(2)8-13(21)9-18(3)16(17)14(22)6-11-5-12-7-20(11,18)10-15(23)19(12,4)24/h11-12,14-16,22-24H,5-10H2,1-4H3/t11-,12+,14-,15-,16-,18-,19+,20-/m0/s1
InChIKey: InChIKey=VDOZOIBJCXGDRW-KLPOQLKCSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, A.R., Ruddock, P.L., Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2005) 66, 1898-902
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemodanes; 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) | 51.3 |
| 2 (C) | 212 |
| 3 (CH2) | 56.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 52.3 |
| 6 (CH) | 69.1 |
| 7 (CH2) | 45.6 |
| 8 (CH) | 37 |
| 9 (C) | 50.9 |
| 10 (C) | 45 |
| 11 (CH2) | 37.6 |
| 12 (CH) | 70.6 |
| 13 (C) | 72.4 |
| 14 (CH) | 45.2 |
| 15 (CH2) | 37.5 |
| 16 (CH2) | 29.7 |
| 17 (CH3) | 24.1 |
| 18 (CH3) | 37.3 |
| 19 (CH3) | 25.1 |
| 20 (CH3) | 19.7 |
