Spektraris NMR
Hyrtiolide
Common Name: Hyrtiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-22(2)8-6-9-23(3)14(22)7-10-24(4)15(23)12-17(27)25(5)16(24)11-13(26)18-19(25)21(29)30-20(18)28/h13-17,21,26-27,29H,6-12H2,1-5H3/t13-,14+,15-,16+,17-,21-,23+,24-,25-/m1/s1
InChIKey: InChIKey=GAQSWPYYPSDAAV-ZOBQAXMWSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Miyaoka, H., Nishijima, S., Mitome, H., Yamada, Y. J Nat Prod (2000) 63, 1369-72
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 41 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 43.3 |
| 4 (C) | 34.2 |
| 5 (CH) | 58 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 42.5 |
| 8 (C) | 38.1 |
| 9 (CH) | 60.1 |
| 10 (C) | 38.6 |
| 11 (CH2) | 27.6 |
| 12 (CH) | 75.8 |
| 13 (C) | 45.9 |
| 14 (CH) | 50.4 |
| 15 (CH2) | 28 |
| 16 (CH) | 61 |
| 17 (C) | 129.5 |
| 18 (C) | 171.3 |
| 19 (CH3) | 33.8 |
| 20 (CH3) | 21.7 |
| 21 (CH3) | 16.7 |
| 22 (CH3) | 18.3 |
| 23 (CH3) | 14.4 |
| 24 (C) | 173 |
| 25 (CH) | 101.7 |
