Spektraris NMR
2a,7a-diacetoxy-13-hydroxystemodane
Common Name: 2a,7a-diacetoxy-13-hydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-14(25)28-17-12-21(3,4)20-10-19(29-15(2)26)18-9-16-11-24(18,22(20,5)13-17)8-7-23(16,6)27/h16-20,27H,7-13H2,1-6H3/t16-,17-,18+,19+,20-,22-,23-,24+/m0/s1
InChIKey: InChIKey=WFHOUEZUYBWXBV-LITGBKOUSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2006) 67, 1088-93
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) | 41.4 |
| 2 (CH) | 68.8 |
| 3 (CH2) | 46.3 |
| 4 (C) | 34.5 |
| 5 (CH) | 43 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 81.2 |
| 8 (CH) | 43.9 |
| 9 (C) | 51.7 |
| 10 (C) | 39.8 |
| 11 (CH2) | 27.9 |
| 12 (CH2) | 31.8 |
| 13 (C) | 83.9 |
| 14 (CH) | 43.1 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 30.6 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 34.4 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 19.6 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.4 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.4 |
