Spektraris NMR
Bacchara-12,21-dien-3beta-ol
Common Name: Bacchara-12,21-dien-3beta-ol
Synonyms: Bacchara-12,21-dien-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)18-19-29(7)22(20-27)11-12-24-28(6)16-14-25(31)26(3,4)23(28)13-17-30(24,29)8/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=PLCSXUZKJJNYDO-BHRHDZAYSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
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) | 38.9 |
| 2 (CH2) | 21.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.1 |
| 9 (CH) | 47.9 |
| 10 (C) | 37 |
| 11 (CH2) | 23 |
| 12 (CH) | 120.1 |
| 13 (C) | 139.5 |
| 14 (C) | 43.1 |
| 15 (CH2) | 26.5 |
| 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) | 15.1 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 21.5 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 25.7 |
