Spektraris NMR
2a,13,16b-Trihydroxystemodane
Common Name: 2a,13,16b-Trihydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-14(25)28-17-12-21(3,4)19-8-7-16-11-18-20(29-15(2)26)24(16,22(19,5)13-17)10-9-23(18,6)27/h16-20,27H,7-13H2,1-6H3/t16-,17-,18-,19-,20-,22-,23-,24-/m0/s1
InChIKey: InChIKey=WDSBRXZSVGSUIP-JLISXPQNSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, A.R., Reese, P.B. Phytochemistry (2002) 59, 57-62
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) | 39.2 |
| 2 (CH) | 70 |
| 3 (CH2) | 53.4 |
| 4 (C) | 39.1 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 36.7 |
| 9 (C) | 50.2 |
| 10 (C) | 40 |
| 11 (CH2) | 27.7 |
| 12 (CH2) | 32.6 |
| 13 (C) | 72.4 |
| 14 (CH) | 46 |
| 15 (CH2) | 37.8 |
| 16 (CH) | 80.5 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 19.3 |
| 20 (CH3) | 18.5 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.2 |
| 16a (C) | 170.9 |
| 16b (CH3) | 20.9 |
