Spektraris NMR
(13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate
Common Name: (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate
Synonyms: (13alpha,17R)-21,23-Epoxy-4,4,8-trimethyl-24-nor-5alpha-chola-14,20,22-triene-1alpha,3alpha,7alpha-triol 1,7-diacetate
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-17(31)35-25-14-23-27(3,4)24(33)15-26(36-18(2)32)30(23,7)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)29(22,25)6/h9,11,13,16,20,22-26,33H,8,10,12,14-15H2,1-7H3/t20-,22-,23-,24+,25+,26-,28-,29-,30+/m0/s1
InChIKey: InChIKey=XZSOANLYLXCHQM-MOBHZLNTSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
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) | 74.7 |
| 2 (CH2) | 27.91 |
| 3 (CH) | 76.07 |
| 4 (C) | 37.26 |
| 5 (CH) | 36.45 |
| 6 (CH2) | 23.05 |
| 7 (CH) | 75.09 |
| 8 (C) | 42.29 |
| 9 (CH) | 35.84 |
| 10 (C) | 40.38 |
| 11 (CH2) | 15.76 |
| 12 (CH2) | 33.11 |
| 13 (C) | 47.05 |
| 14 (C) | 159 |
| 15 (CH) | 119.17 |
| 16 (CH2) | 34.24 |
| 17 (CH) | 51.35 |
| 18 (CH3) | 20.66 |
| 19 (CH3) | 15.88 |
| 20 (C) | 124.6 |
| 21 (CH) | 139.6 |
| 22 (CH) | 111 |
| 23 (CH) | 142.51 |
| 28 (CH3) | 28.32 |
| 29 (CH3) | 21.82 |
| 30 (CH3) | 27.06 |
| 1a (C) | 169.51 |
| 1b (CH3) | 21.35 |
| 7a (C) | 170.29 |
| 7b (CH3) | 21.3 |
