Spektraris NMR
(20R or 20S)-3b-acetoxy-20,29-epoxylupane
Common Name: (20R or 20S)-3b-acetoxy-20,29-epoxylupane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-20(33)35-25-13-15-29(5)23(27(25,2)3)12-16-31(7)24(29)10-9-21-26-22(32(8)19-34-32)11-14-28(26,4)17-18-30(21,31)6/h21-26H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26+,28-,29+,30-,31-,32?/m1/s1
InChIKey: InChIKey=PADBCQKCBWSBHV-LVEDWKOTSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Corbett R.E., Cong A.N.T., Wilkins A.L., Thomson R.A. J Chem Soc, Perkin Trans 1 (1985) 0, 2051
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) | 38.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.3 |
| 8 (C) | 40.9 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 37.3 |
| 14 (C) | 43 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 35.5 |
| 17 (C) | 43.5 |
| 18 (CH) | 46.5 |
| 19 (CH) | 49.5 |
| 20 (C) | 60.3 |
| 21 (CH2) | 26 |
| 22 (CH2) | 39.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH2) | 57.5 |
| 30 (CH3) | 18.2 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
