Spektraris NMR
Scutenisin
Common Name: Scutenisin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O9/c1-16(2)22(31)35-20-21(36-23(32)17(3)4)28(13-29)18(8-7-9-27(28)15-34-27)24(5)10-11-26(37-25(20,24)6)12-19(30)33-14-26/h16-18,20-21,29H,7-15H2,1-6H3/t18-,20+,21+,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=RNCJRXUVVODHMB-VYCMFSHVSA-N
Formula: C28H42O9
Molecular Weight: 522.628761
Exact Mass: 522.282883
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ezer, N., Akcos, Y., Rodriguez, B. Phytochemistry (1998) 49, 1825-7
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) | 20.8 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 65.5 |
| 5 (C) | 46.9 |
| 6 (CH) | 71.1 |
| 7 (CH) | 73.1 |
| 8 (C) | 81.1 |
| 9 (C) | 37.8 |
| 10 (CH) | 41.4 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 28.9 |
| 13 (C) | 75.6 |
| 14 (CH2) | 42.7 |
| 15 (C) | 174.6 |
| 16 (CH2) | 79.6 |
| 17 (CH3) | 20.1 |
| 18 (CH2) | 48 |
| 19 (CH2) | 62.2 |
| 20 (CH3) | 18.9 |
| 6a (C) | 176.6 |
| 6b (CH) | 34.1 |
| 6c (CH3) | 20 |
| 6ba (CH3) | 19.3 |
| 7a (C) | 174.4 |
| 7b (CH) | 34 |
| 7c (CH3) | 18.7 |
| 7ba (CH3) | 18.6 |
