Spektraris NMR
7a,18,19-Trihydroxystemarane
Common Name: 7a,18,19-Trihydroxystemarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-17-5-3-6-19(11-21,12-22)16(17)8-15(23)14-10-18(2,24)13-4-7-20(14,17)9-13/h13-16,21-24H,3-12H2,1-2H3/t13-,14-,15-,16-,17+,18-,20-/m1/s1
InChIKey: InChIKey=BRZJFYSZFISPCX-RUFVYLNLSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
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 : Stemaranes; 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) | 30.3 |
| 2 (CH2) | 22.6 |
| 3 (CH2) | 36.2 |
| 4 (C) | 45.1 |
| 5 (CH) | 40.6 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 66.9 |
| 8 (CH) | 44.2 |
| 9 (C) | 53.8 |
| 10 (C) | 37.6 |
| 11 (CH2) | 29.7 |
| 12 (CH) | 48.2 |
| 13 (C) | 74 |
| 14 (CH2) | 39.9 |
| 15 (CH3) | 29.6 |
| 16 (CH2) | 26.7 |
| 17 (CH2) | 27.1 |
| 18 (CH2) | 64.4 |
| 19 (CH2) | 71.5 |
| 20 (CH3) | 17.7 |
