Spektraris NMR
(4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione
![(4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione](/nmr/static/nmr/svg/12998.svg)
Common Name: (4R,6aS,10aS)-1,4,6a,7,8,9,10,10a-Octahydro-11-hydroxy-4-methoxy-7,7,10atrimethyl-2H-phenanthro[1,2-c]pyran-6,12-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-20(2)7-5-8-21(3)15-12(10-13(22)18(20)21)14-11(16(23)17(15)24)6-9-26-19(14)25-4/h10,18-19,24H,5-9H2,1-4H3/t18-,19+,21+/m0/s1
InChIKey: InChIKey=LNMSJNUZCCJZFM-QKNQBKEWSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schaller, F., Wolfender, J.L., Hostettmann, K., Mavi, S. Helv Chim Acta (2001) 84, 222-9
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 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42.3 |
| 4 (C) | 42.9 |
| 5 (CH) | 62.2 |
| 6 (C) | 201 |
| 7 (CH) | 130.9 |
| 8 (C) | 137 |
| 9 (C) | 127.3 |
| 10 (C) | 32.8 |
| 11 (C) | 144.2 |
| 12 (C) | 181 |
| 13 (C) | 132.7 |
| 14 (C) | 141.2 |
| 15 (CH2) | 22.1 |
| 16 (CH2) | 56 |
| 17 (CH) | 93.4 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.93 |
| 20 (CH3) | 21.83 |
| 17a (CH3) | 55.3 |
