Spektraris NMR
Scutorientalin C
Common Name: Scutorientalin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-15(2)21(30)34-19-10-22(4)23(5,18(28)9-24(35-22)11-20(29)32-12-24)17-7-6-8-25(13-33-25)26(17,19)14-31-16(3)27/h15,17-19,28H,6-14H2,1-5H3/t17-,18-,19+,22+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=FMSAYGWVBGBTMZ-XFCFZYCESA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 26.9 |
| 2 (CH2) | 28.3 |
| 3 (CH2) | 28.9 |
| 4 (C) | 61.2 |
| 5 (C) | 44.6 |
| 6 (CH) | 68.8 |
| 7 (CH2) | 39.7 |
| 8 (C) | 79 |
| 9 (C) | 36.3 |
| 10 (CH) | 34 |
| 11 (CH) | 66.2 |
| 12 (CH2) | 38.1 |
| 13 (C) | 76.4 |
| 14 (CH2) | 44.2 |
| 15 (C) | 175.8 |
| 16 (CH2) | 76.9 |
| 17 (CH3) | 24.1 |
| 18 (CH2) | 50.3 |
| 19 (CH2) | 61.9 |
| 20 (CH3) | 18.8 |
| 6a (C) | 174.1 |
| 6b (CH) | 34.1 |
| 6c (CH3) | 20.2 |
| 6ba (CH3) | 21 |
| 19a (C) | 171 |
| 19b (CH3) | 21.2 |
