Spektraris NMR
(4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Common Name: (4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
Synonyms: (4bS,8aS)-4-hydroxy-2-(2-hydroxyethyl)-1,4b,8,8-tetramethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-11-12(6-9-21)16(23)17(24)15-13(11)10-14(22)18-19(2,3)7-5-8-20(15,18)4/h10,18,21,24H,5-9H2,1-4H3/t18-,20+/m0/s1
InChIKey: InChIKey=HAYDAXBKYUCVMG-AZUAARDMSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Schaller, F., Rahalison, L., Islam, N., Potterat, O., Hostettmann, K., Stoeckli-Evans, H., Mavi, S. Helv Chim Acta (2000) 83, 407-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 37.8 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42.9 |
| 4 (C) | 43 |
| 5 (CH) | 62.4 |
| 6 (C) | 201.1 |
| 7 (CH) | 131.3 |
| 8 (C) | 142 |
| 9 (C) | 127 |
| 10 (C) | 33.3 |
| 11 (C) | 145.1 |
| 12 (C) | 182.3 |
| 13 (C) | 134.8 |
| 14 (C) | 146.5 |
| 15 (CH2) | 31 |
| 16 (CH2) | 61.3 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 21.6 |
