Spektraris NMR
(5ξ,9ξ,13α,14β,17α,20S,21R,23R,24R)-24-Hydroxy-21-methoxy-21,23-epoxylanosta-7,25-dien-3-one
Common Name: (5ξ,9ξ,13α,14β,17α,20S,21R,23R,24R)-24-Hydroxy-21-methoxy-21,23-epoxylanosta-7,25-dien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-18(2)26(33)23-17-19(27(34-8)35-23)20-11-15-31(7)22-9-10-24-28(3,4)25(32)13-14-29(24,5)21(22)12-16-30(20,31)6/h9,19-21,23-24,26-27,33H,1,10-17H2,2-8H3/t19-,20-,21-,23+,24-,26+,27+,29+,30-,31+/m0/s1
InChIKey: InChIKey=OXVFHOLNIYZIRR-PNSVCQISSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yan, C., Wang, Y., Du, H., Hao, X.J. Chin J Chem (2008) 26, 1343-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 52.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.5 |
| 9 (CH) | 48.3 |
| 10 (C) | 35.1 |
| 11 (CH2) | 17.7 |
| 12 (CH2) | 31.6 |
| 13 (C) | 43.6 |
| 14 (C) | 50.1 |
| 15 (CH2) | 33.8 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 12.7 |
| 20 (CH) | 48.5 |
| 21 (CH) | 108.7 |
| 22 (CH2) | 34.6 |
| 23 (CH) | 78.6 |
| 24 (CH) | 78.3 |
| 25 (C) | 144.4 |
| 26 (CH2) | 113.3 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.2 |
| 21a (CH3) | 55.5 |
