Spektraris NMR
Dahabinone A
Common Name: Dahabinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-20-10-11-21-25(2,3)15-9-16-29(21,8)35-30(20,33)19-12-22-27(6)17-13-23(31)26(4,5)34-24(27)14-18-28(22,7)32/h12,19-22,24,32-33H,9-11,13-18H2,1-8H3/b19-12+/t20?,21?,22-,24-,27-,28+,29?,30?/m1/s1
InChIKey: InChIKey=HYBNTAIXYWGGDJ-DYPWEQAPSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kashman, Y., Yosief, T., Carmeli, S. J Nat Prod (2001) 64, 175-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dahabinones; 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 (C) | 41.4 |
| 2 (CH2) | 40.4 |
| 3 (CH2) | 35.5 |
| 4 (C) | 217.5 |
| 5 (C) | 82.6 |
| 7 (CH) | 81 |
| 8 (CH2) | 27.1 |
| 9 (CH2) | 38.7 |
| 10 (C) | 71.2 |
| 11 (CH) | 62.1 |
| 12 (CH) | 125.9 |
| 13 (CH) | 133.5 |
| 14 (C) | 92.3 |
| 15 (CH) | 40.5 |
| 16 (CH2) | 35.2 |
| 17 (CH2) | 28.3 |
| 18 (CH) | 46.3 |
| 19 (C) | 73.8 |
| 20 (CH2) | 41.9 |
| 21 (CH2) | 24.1 |
| 22 (CH2) | 32.2 |
| 23 (C) | 33 |
| 24 (CH3) | 12.4 |
| 25 (CH3) | 20.6 |
| 26 (CH3) | 26.7 |
| 27 (CH3) | 28.8 |
| 28 (CH3) | 19.2 |
| 29 (CH3) | 24.6 |
| 30 (CH3) | 25 |
| 31 (CH3) | 34.2 |
