Spektraris NMR
2a-Hydroxyswietenolide
Common Name: 2a-Hydroxyswietenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O9/c1-24(2)19(18(29)21(30)34-5)26(4)15-6-8-25(3)16(14(15)11-27(33,22(24)31)23(26)32)10-17(28)36-20(25)13-7-9-35-12-13/h7,9,12,15,18-20,22,29,31,33H,6,8,10-11H2,1-5H3/t15-,18+,19-,20-,22-,25+,26+,27+/m0/s1
InChIKey: InChIKey=ROELJMJDOPSYJR-KYWAYRNDSA-N
Formula: C27H34O9
Molecular Weight: 502.554499
Exact Mass: 502.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coombes, P.H., Mulholland, D.A., Randrianarivelojosia, M. Phytochemistry (2005) 66, 1100-7
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) | 219 |
| 2 (C) | 79.6 |
| 3 (CH) | 87.1 |
| 4 (C) | 40.2 |
| 5 (CH) | 44.3 |
| 6 (CH) | 73.5 |
| 7 (C) | 175.8 |
| 8 (C) | 126.8 |
| 9 (CH) | 52.8 |
| 10 (C) | 53.1 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 29.2 |
| 13 (C) | 38.2 |
| 14 (C) | 132.5 |
| 15 (CH2) | 33.5 |
| 16 (C) | 171.1 |
| 17 (CH) | 80.6 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 18.1 |
| 20 (C) | 120.9 |
| 21 (CH) | 141.3 |
| 22 (CH) | 110 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 23.7 |
| 29 (CH3) | 22.8 |
| 30 (CH2) | 44.7 |
| 7a (CH3) | 53.6 |
