Spektraris NMR
(13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene
Common Name: (13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene
Synonyms: (13alpha,17alpha)-1alpha,3alpha,7alpha-Triacetoxy-4,4,8-trimethyl-21,23-epoxy-24-nor-5alpha-chola-14,20,22-triene
CAS Registry Number:
InChI: InChI=1S/C32H44O7/c1-18(33)37-26-16-28(39-20(3)35)32(8)24-11-13-30(6)22(21-12-14-36-17-21)9-10-23(30)31(24,7)27(38-19(2)34)15-25(32)29(26,4)5/h10,12,14,17,22,24-28H,9,11,13,15-16H2,1-8H3/t22-,24-,25-,26+,27+,28-,30-,31-,32+/m0/s1
InChIKey: InChIKey=JFZWEEGAFRZPEY-TXQBVQDDSA-N
Formula: C32H44O7
Molecular Weight: 540.688776
Exact Mass: 540.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 72.5 |
| 2 (CH2) | 25.54 |
| 3 (CH) | 76.17 |
| 4 (C) | 35.96 |
| 5 (CH) | 37.15 |
| 6 (CH2) | 22.89 |
| 7 (CH) | 75.2 |
| 8 (C) | 42.16 |
| 9 (CH) | 35.5 |
| 10 (C) | 40.19 |
| 11 (CH2) | 15.72 |
| 12 (CH2) | 33.17 |
| 13 (C) | 47.12 |
| 14 (C) | 159.18 |
| 15 (CH) | 119.06 |
| 16 (CH2) | 34.28 |
| 17 (CH) | 51.39 |
| 18 (CH3) | 20.44 |
| 19 (CH3) | 15.88 |
| 20 (C) | 124.68 |
| 21 (CH) | 139.61 |
| 22 (CH) | 111.03 |
| 23 (CH) | 142.5 |
| 28 (CH3) | 27.42 |
| 29 (CH3) | 21.68 |
| 30 (CH3) | 26.98 |
| 1a (C) | 169.94 |
| 1b (CH3) | 21.08 |
| 3a (C) | 170.07 |
| 3b (CH3) | 21.14 |
| 7a (C) | 170.07 |
| 7b (CH3) | 21.14 |
