Spektraris NMR
17-Epi-Methyl-6-hydroxyangolensate
Common Name: 17-Epi-Methyl-6-hydroxyangolensate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O8/c1-14-16-7-9-25(4)22(15-8-10-33-13-15)34-19(29)12-27(14,25)35-18-11-17(28)24(2,3)21(26(16,18)5)20(30)23(31)32-6/h8,10,13,16,18,20-22,30H,1,7,9,11-12H2,2-6H3/t16-,18-,20+,21-,22+,25-,26+,27+/m0/s1
InChIKey: InChIKey=GOYZKWCPWBKPIG-BPSISOHKSA-N
Formula: C27H34O8
Molecular Weight: 486.555094
Exact Mass: 486.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Atta ur, R., Zareen, S., Choudhary, M.I., Akhtar, M.N., Khan, S.N. J Nat Prod (2008) 71, 910-3
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 (CH) | 78.2 |
| 2 (CH2) | 39.1 |
| 3 (C) | 211.9 |
| 4 (C) | 48.7 |
| 5 (CH) | 47.5 |
| 6 (CH) | 72.3 |
| 7 (C) | 176.6 |
| 8 (C) | 145.9 |
| 9 (CH) | 50.7 |
| 10 (C) | 44.7 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 28.6 |
| 13 (C) | 41.3 |
| 14 (C) | 80.4 |
| 15 (CH2) | 33.7 |
| 16 (C) | 169.9 |
| 17 (CH) | 79.4 |
| 18 (CH3) | 13.7 |
| 19 (CH3) | 23.7 |
| 20 (C) | 120.9 |
| 21 (CH) | 140.7 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.7 |
| 28 (CH3) | 23.4 |
| 29 (CH3) | 24.7 |
| 30 (CH2) | 111.5 |
| 7a (CH3) | 53.3 |
