Spektraris NMR
Scutecyprin
Common Name: Scutecyprin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O8/c1-6-14(2)22(29)35-24-27-19(11-18(33-24)12-26(27)13-31-26)25(5,15(3)9-21(27)32-16(4)28)20-10-17-7-8-30-23(17)34-20/h6,15,17-21,23-24H,7-13H2,1-5H3/b14-6+/t15-,17-,18+,19-,20+,21+,23+,24?,25+,26+,27+/m1/s1
InChIKey: InChIKey=UERGQMPBKIJIHF-YDGOYXDWSA-N
Formula: C27H38O8
Molecular Weight: 490.586857
Exact Mass: 490.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y. Phytochemistry (1997) 46, 955-8
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) | 28.4 |
| 2 (CH) | 67.2 |
| 3 (CH2) | 36.9 |
| 4 (C) | 60.6 |
| 5 (C) | 41.4 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 35.1 |
| 9 (C) | 41.6 |
| 10 (CH) | 40.8 |
| 11 (CH) | 86 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 41.8 |
| 14 (CH2) | 33.5 |
| 15 (CH2) | 68.3 |
| 16 (CH) | 108.2 |
| 17 (CH3) | 16.7 |
| 18 (CH2) | 50.2 |
| 19 (CH) | 91.4 |
| 20 (CH3) | 14 |
| 6a (C) | 170 |
| 6b (CH3) | 21 |
| 19a (C) | 166.3 |
| 19b (C) | 128.4 |
| 19c (CH) | 138.4 |
| 19d (CH3) | 14.5 |
| 19ba (CH3) | 11.9 |
