Spektraris NMR
7b-Acetoxy-3-oxolup-20(29)-ene
Common Name: 7b-Acetoxy-3-oxolup-20(29)-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-19(2)21-12-14-29(6)16-17-31(8)22(27(21)29)10-11-23-30(7)15-13-25(34)28(4,5)24(30)18-26(32(23,31)9)35-20(3)33/h21-24,26-27H,1,10-18H2,2-9H3/t21-,22+,23+,24-,26-,27+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=XHPWDUDPQUGZAZ-ISKSYTLZSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anaya J., Caballero M.C., Grande M., Navarro J.J., Tapia I., Almeida J.F. Phytochemistry (1989) 28, 2206
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) | 39.3 |
| 2 (CH2) | 34 |
| 3 (C) | 216.4 |
| 4 (C) | 47 |
| 5 (CH) | 51.8 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 76.5 |
| 8 (C) | 45.6 |
| 9 (CH) | 50 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 38.8 |
| 14 (C) | 44.4 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 36.2 |
| 17 (C) | 42.8 |
| 18 (CH) | 48.3 |
| 19 (CH) | 48.3 |
| 20 (C) | 150.9 |
| 21 (CH2) | 30.1 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 22 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 11.3 |
| 27 (CH3) | 15 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.5 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21 |
