Spektraris NMR
Lupa-20(29)-ene-3beta,25-diol
Common Name: Lupa-20(29)-ene-3beta,25-diol
Synonyms: Lupa-20(29)-ene-3beta,25-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-28(6)21(25(20)27)8-9-23-29(28,7)14-11-22-26(3,4)24(32)12-15-30(22,23)18-31/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23-,24-,25+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=ZEUODJNSADRKJR-NNENYQEDSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
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) | 34.2 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.4 |
| 10 (C) | 42.6 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 37.9 |
| 14 (C) | 42.8 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 35.3 |
| 17 (C) | 42.8 |
| 18 (CH) | 48.2 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.4 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 40 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.6 |
| 25 (CH2) | 60.7 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.8 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.2 |
