Spektraris NMR
2-Hydroxyseneganolide
Common Name: 2-Hydroxyseneganolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O9/c1-21(2)15-8-17(27)33-12-23(15)14-4-6-22(3)16(9-18(28)34-19(22)13-5-7-32-10-13)24(14)11-25(30,20(21)29)26(23,31)35-24/h5,7,10,14-16,19,30-31H,4,6,8-9,11-12H2,1-3H3/t14-,15+,16-,19+,22-,23-,24-,25-,26-/m1/s1
InChIKey: InChIKey=KZFPZDFHHOUZCZ-WDGQYQOASA-N
Formula: C26H30O9
Molecular Weight: 486.512
Exact Mass: 486.188983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakatani, M., Abdelgaleil, S.A., Kurawaki, J., Okamura, H., Iwagawa, T., Doe, M. J Nat Prod (2001) 64, 1261-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 111.2 |
| 2 (C) | 89.6 |
| 3 (C) | 204.7 |
| 4 (C) | 44.9 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 29.4 |
| 7 (C) | 172.3 |
| 8 (C) | 79 |
| 9 (CH) | 57.2 |
| 10 (C) | 51.1 |
| 11 (CH2) | 19 |
| 12 (CH2) | 32.9 |
| 13 (C) | 37 |
| 14 (CH) | 49.5 |
| 15 (CH2) | 27.9 |
| 16 (C) | 169.4 |
| 17 (CH) | 78.6 |
| 18 (CH3) | 23.4 |
| 19 (CH2) | 73.3 |
| 20 (C) | 120.6 |
| 21 (CH) | 141 |
| 22 (CH) | 109.9 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 19.3 |
| 30 (CH2) | 40.3 |
