Spektraris NMR
Scutorientalin A
Common Name: Scutorientalin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O8/c1-16(2)21(29)33-19-11-23(5)22(4,9-10-24(34-23)12-20(28)31-13-24)18-7-6-8-25(14-32-25)26(18,19)15-30-17(3)27/h16,18-19H,6-15H2,1-5H3/t18-,19+,22-,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=XNHRPVTVTBEJMF-OEFJJKCRSA-N
Formula: C26H38O8
Molecular Weight: 478.576121
Exact Mass: 478.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y. Phytochemistry (1996) 43, 173-8
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) | 20.7 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 32.6 |
| 4 (C) | 65 |
| 5 (C) | 44.8 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 38.2 |
| 8 (C) | 79.1 |
| 9 (C) | 37.9 |
| 10 (CH) | 42.2 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 28.7 |
| 13 (C) | 76.6 |
| 14 (CH2) | 44.3 |
| 15 (C) | 175.7 |
| 16 (CH2) | 76.7 |
| 17 (CH3) | 24.2 |
| 18 (CH2) | 48.7 |
| 19 (CH2) | 61.9 |
| 20 (CH3) | 18.9 |
| 6a (C) | 173.6 |
| 6b (CH) | 34.1 |
| 6c (CH3) | 20.4 |
| 6ba (CH3) | 20.7 |
| 19a (C) | 171.1 |
| 19b (CH3) | 21.2 |
