Spektraris NMR
3b-acetoxi-17,24-dioxobaccharano
Common Name: 3b-acetoxi-17,24-dioxobaccharano
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-20(2)23(35)11-14-28(4)17-18-31(7)22(27(28)36)9-10-25-29(5)15-13-26(37-21(3)34)30(6,19-33)24(29)12-16-32(25,31)8/h20,22,24-26,33H,9-19H2,1-8H3/t22-,24-,25-,26?,28-,29+,30+,31-,32-/m1/s1
InChIKey: InChIKey=NLHDQADIZOHELJ-MSENYUMTSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
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) | 40.9 |
| 18 (C) | 217.4 |
| 19 (CH2) | 35.7 |
| 20 (CH2) | 35.4 |
| 21 (C) | 214.7 |
| 22 (CH) | 41 |
| 23 (CH2) | 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 |
