Spektraris NMR
ent-8S,12S-Epoxy-7R,16-dihydroxyhalima-5(10),13-dien-15,16-olide
Common Name: ent-8S,12S-Epoxy-7R,16-dihydroxyhalima-5(10),13-dien-15,16-olide
Synonyms: ent-8S,12S-Epoxy-7R,16-dihydroxyhalima-5(10),13-dien-15,16-olide
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-18(2)7-5-6-12-13(18)9-15(21)20(4)19(12,3)10-14(25-20)11-8-16(22)24-17(11)23/h8,14-15,17,21,23H,5-7,9-10H2,1-4H3/t14-,15+,17?,19-,20+/m1/s1
InChIKey: InChIKey=NIGQNKWPSOVNAT-OCTNGKAXSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Scio, E., Ribeiro, A., Alves, T.M., Romanha, A.J., Dias de Souza Filho, J., Cordell, G.A., Zani, C.L. Phytochemistry (2003) 64, 1125-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 26.4 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 39.5 |
| 4 (C) | 34.4 |
| 5 (C) | 135.4 |
| 6 (CH2) | 30.1 |
| 7 (CH) | 71.5 |
| 8 (C) | 86.3 |
| 9 (C) | 51.7 |
| 10 (C) | 128.7 |
| 11 (CH2) | 41.4 |
| 12 (CH) | 73 |
| 13 (C) | 170.1 |
| 14 (CH) | 117.9 |
| 15 (C) | 170.1 |
| 16 (CH) | 97.4 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 28 |
| 19 (CH3) | 28.7 |
| 20 (CH3) | 20.8 |
