Spektraris NMR
2a,3b,13-Trihydroxystemodane
Common Name: 2a,3b,13-Trihydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2)15-6-5-12-9-13-10-20(12,8-7-19(13,4)23)18(15,3)11-14(21)16(17)22/h12-16,21-23H,5-11H2,1-4H3/t12-,13-,14+,15-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=RQDMNTGFNDFLHP-NKYOLRSBSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
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) | 42.3 |
| 2 (CH) | 68.5 |
| 3 (CH) | 83.5 |
| 4 (C) | 39.2 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 36.7 |
| 9 (C) | 50.1 |
| 10 (C) | 39 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 32.6 |
| 13 (C) | 72.2 |
| 14 (CH) | 46 |
| 15 (CH2) | 37.8 |
| 16 (CH2) | 30.8 |
| 17 (CH3) | 28 |
| 18 (CH3) | 29.9 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 19.6 |
