Spektraris NMR
3beta-Acetoxybacchara-12,21-diene
Common Name: 3beta-Acetoxybacchara-12,21-diene
Synonyms: 3beta-Acetoxybacchara-12,21-diene
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-22(2)11-10-16-29(6)19-20-31(8)24(21-29)12-13-26-30(7)17-15-27(34-23(3)33)28(4,5)25(30)14-18-32(26,31)9/h11-12,25-27H,10,13-21H2,1-9H3/t25-,26+,27-,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=BDFABTKVZUTYII-KLIVDUPGSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kimura, Y., Tamura, T. Phytochemistry (1994) 37, 1413-5
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) | 38.6 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.1 |
| 8 (C) | 39.1 |
| 9 (CH) | 47.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23 |
| 12 (CH) | 120.6 |
| 13 (C) | 139.5 |
| 14 (C) | 43.1 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 33.3 |
| 17 (C) | 34.2 |
| 18 (CH2) | 44.6 |
| 19 (CH2) | 45.5 |
| 20 (CH2) | 22.1 |
| 21 (CH) | 125.4 |
| 22 (C) | 130.9 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 21.5 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 25.7 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
