Spektraris NMR
16 Hydroxyscalarolide
Common Name: 16 Hydroxyscalarolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-22(2)8-6-9-23(3)16(22)7-10-24(4)17(23)12-19(27)25(5)18(24)11-15(26)14-13-29-21(28)20(14)25/h15-19,26-27H,6-13H2,1-5H3/t15-,16-,17+,18-,19+,23-,24+,25+/m0/s1
InChIKey: InChIKey=JATZQTKLRUQDOB-VYXBSXJOSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
NMR Solvent: CDCl3
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) | 39.7 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 41.7 |
| 8 (C) | 37 |
| 9 (CH) | 58 |
| 10 (C) | 37.4 |
| 11 (CH2) | 25.7 |
| 12 (CH) | 75.5 |
| 13 (C) | 42.8 |
| 14 (CH) | 54.3 |
| 15 (CH2) | 28.2 |
| 16 (CH) | 67.9 |
| 17 (C) | 162.3 |
| 18 (C) | 136.3 |
| 19 (CH3) | 33.3 |
| 20 (CH3) | 21.3 |
| 21 (CH3) | 15.9 |
| 22 (CH3) | 17.4 |
| 23 (CH3) | 16.7 |
| 24 (CH2) | 70.7 |
| 25 (C) | 175.6 |
