Spektraris NMR
4,15-Dihydro-15-hydroxy-3-epicaryoptin
Common Name: 4,15-Dihydro-15-hydroxy-3-epicaryoptin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O10/c1-13-8-21(34-16(4)29)25(11-31-14(2)27)18(6-7-19(33-15(3)28)26(25)12-32-26)24(13,5)20-9-17-10-22(30)36-23(17)35-20/h13,17-23,30H,6-12H2,1-5H3/t13-,17+,18-,19+,20+,21+,22-,23-,24+,25+,26-/m1/s1
InChIKey: InChIKey=CVAFGEMJUHEQAJ-XEEQPLLKSA-N
Formula: C26H38O10
Molecular Weight: 510.574931
Exact Mass: 510.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pandey, R., Verma, R.K., Gupta, M.M. Phytochemistry (2005) 66, 643-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 21.1 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 67.1 |
| 4 (C) | 65.3 |
| 5 (C) | 46.3 |
| 6 (CH) | 71.3 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 36 |
| 9 (C) | 40.2 |
| 10 (CH) | 47.6 |
| 11 (CH) | 83.5 |
| 12 (CH2) | 32.5 |
| 13 (CH) | 40.9 |
| 14 (CH2) | 39.9 |
| 15 (CH) | 98.4 |
| 16 (CH) | 109.5 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 42.5 |
| 19 (CH2) | 61.3 |
| 20 (CH3) | 13.8 |
| 3a (C) | 169.5 |
| 3b (CH3) | 20.9 |
| 6a (C) | 170 |
| 6b (CH3) | 20.9 |
| 19a (C) | 171.1 |
| 19b (CH3) | 20.9 |
