Spektraris NMR
(13α,14β,17α,20S,23R)-21,23-Epoxylanosta-7,24-diene-3,21-dione
Common Name: (13α,14β,17α,20S,23R)-21,23-Epoxylanosta-7,24-diene-3,21-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(2)16-19-17-20(26(32)33-19)21-10-14-30(7)23-8-9-24-27(3,4)25(31)12-13-28(24,5)22(23)11-15-29(21,30)6/h8,16,19-22,24H,9-15,17H2,1-7H3/t19-,20-,21-,22-,24-,28+,29-,30+/m0/s1
InChIKey: InChIKey=DITNSHOJORLTJT-CMACKUAXSA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamperdick, C., Lien, T.P., Adam, G., Sung, T.V. J Nat Prod (2003) 66, 675-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.5 |
| 2 (CH2) | 34.9 |
| 3 (C) | 216.9 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 118.2 |
| 8 (C) | 145.5 |
| 9 (CH) | 48.4 |
| 10 (C) | 35.1 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 33.9 |
| 13 (C) | 43.7 |
| 14 (C) | 50.5 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 31 |
| 17 (CH) | 41.4 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 12.7 |
| 20 (CH) | 46.9 |
| 21 (C) | 178.6 |
| 22 (CH2) | 23.9 |
| 23 (CH) | 75.2 |
| 24 (CH) | 123.1 |
| 25 (C) | 139.7 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 27.5 |
