Spektraris NMR
(3β,11α)-11-Hydroxy-3,25-epoxylup-20(29)-en-25-one
Common Name: (3β,11α)-11-Hydroxy-3,25-epoxylup-20(29)-en-25-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-17(2)18-8-11-27(5)14-15-28(6)19(23(18)27)16-20(31)24-29(28,7)12-9-21-26(3,4)22-10-13-30(21,24)25(32)33-22/h18-24,31H,1,8-16H2,2-7H3/t18-,19+,20+,21-,22-,23+,24-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=CTONZDMPRGEDGA-CFLLAIFQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prakash Chaturvedula V.S., Schilling J.K., Johnson R.K., Kingston D.G. J Nat Prod (2003) 66, 419-22
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 23.8 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 81.5 |
| 4 (C) | 38.2 |
| 5 (CH) | 34.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 54.4 |
| 10 (C) | 49.9 |
| 11 (CH) | 68.3 |
| 12 (CH2) | 27.8 |
| 13 (CH) | 38 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43.1 |
| 18 (CH) | 48.3 |
| 19 (CH) | 48.1 |
| 20 (C) | 151 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.8 |
| 25 (C) | 178 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.3 |
