Spektraris NMR
(1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-7beta-ethyl-4bbeta,7,10abeta,12abeta-tetramethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
Common Name: (1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-7beta-ethyl-4bbeta,7,10abeta,12abeta-tetramethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
Synonyms: (1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-7beta-ethyl-4bbeta,7,10abeta,12abeta-tetramethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
CAS Registry Number:
InChI: InChI=1S/C29H46O5/c1-8-26(4)11-9-12-27(5)21(26)10-13-28(6)22(27)15-24(34-18(3)32)29(7)19(16-30)25(17(2)31)20(33)14-23(28)29/h16,19-25,33H,8-15H2,1-7H3/t19-,20-,21-,22+,23-,24-,25-,26-,27-,28+,29+/m0/s1
InChIKey: InChIKey=WVRSKIZLQKFGLC-WJGOXMNSSA-N
Formula: C29H46O5
Molecular Weight: 474.67364
Exact Mass: 474.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roy, M.C., Tanaka, J., de Voogd, N., Higa, T. J Nat Prod (2002) 65, 1838-42
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 40.2 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36.6 |
| 4 (C) | 36.1 |
| 5 (CH) | 58.6 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.8 |
| 8 (C) | 37.9 |
| 9 (CH) | 52.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.8 |
| 12 (CH) | 74.9 |
| 13 (C) | 40.5 |
| 14 (CH) | 51.1 |
| 15 (CH2) | 30.4 |
| 16 (CH) | 73.8 |
| 17 (CH) | 52.1 |
| 18 (CH) | 58.3 |
| 19 (CH3) | 28.5 |
| 20 (CH2) | 24.5 |
| 21 (CH3) | 16.9 |
| 22 (CH3) | 16.8 |
| 23 (CH3) | 17.3 |
| 24 (C) | 213.2 |
| 25 (CH) | 202.6 |
| 26 (CH3) | 33.8 |
| 27 (CH3) | 8.6 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.5 |
