Spektraris NMR
3beta-Acetoxy-18,19-secolupane-18,19-dione
Common Name: 3beta-Acetoxy-18,19-secolupane-18,19-dione
Synonyms: 3beta-Acetoxy-18,19-secolupane-18,19-dione
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-20(2)23(34)12-15-29(6)18-19-31(8)22(27(29)35)10-11-25-30(7)16-14-26(36-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h20,22,24-26H,10-19H2,1-9H3/t22-,24+,25-,26+,29-,30+,31-,32-/m1/s1
InChIKey: InChIKey=KFSHYEDTGHASOB-SPFANWNTSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oksuz, S., Serin, S. Phytochemistry (1997) 46, 545-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Baccharanes; 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) | 37.8 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.7 |
| 4 (C) | 38.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18 |
| 7 (CH2) | 33.1 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.7 |
| 10 (C) | 37 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 23.8 |
| 13 (CH) | 44.4 |
| 14 (C) | 42 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 33.4 |
| 17 (C) | 49.9 |
| 18 (C) | 217.4 |
| 19 (CH2) | 35.7 |
| 20 (CH2) | 35.4 |
| 21 (C) | 214.7 |
| 22 (CH) | 41 |
| 23 (CH3) | 16.5 |
| 24 (CH3) | 27.9 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 16.7 |
| 29 (CH3) | 18.3 |
| 30 (CH3) | 18.3 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
