Spektraris NMR
(1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-4bbeta,7,7,10abeta,12abeta-pentamethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
Common Name: (1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-4bbeta,7,7,10abeta,12abeta-pentamethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
Synonyms: (1S,4aalpha,6aalpha,10balpha)-1beta-Formyl-2alpha-acetyl-4bbeta,7,7,10abeta,12abeta-pentamethyloctadecahydrochrysene-3beta,12alpha-diol 12-acetate
CAS Registry Number:
InChI: InChI=1S/C28H44O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)32)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)33-17(2)31/h15,18-24,32H,8-14H2,1-7H3/t18-,19-,20-,21+,22-,23-,24-,26-,27+,28+/m0/s1
InChIKey: InChIKey=UFBZWPSQIJARTK-QMHVTLFBSA-N
Formula: C28H44O5
Molecular Weight: 460.647023
Exact Mass: 460.318875
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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 41.5 |
| 8 (C) | 37.9 |
| 9 (CH) | 52.4 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.7 |
| 12 (CH) | 74.8 |
| 13 (C) | 40.5 |
| 14 (CH) | 51.1 |
| 15 (CH2) | 30.5 |
| 16 (CH) | 73.8 |
| 17 (CH) | 52.1 |
| 18 (CH) | 58.3 |
| 19 (CH3) | 33.2 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 16.9 |
| 22 (CH3) | 16 |
| 23 (CH3) | 17.3 |
| 24 (C) | 213.3 |
| 25 (CH) | 202.6 |
| 26 (CH3) | 33.8 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.5 |
