Spektraris NMR
Scutecyprol B
Common Name: Scutecyprol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O9/c1-6-13(2)22(30)36-24-27-18(10-17(33-24)11-26(27)12-31-26)25(5,14(3)7-20(27)32-15(4)28)19-8-16-9-21(29)35-23(16)34-19/h6,14,16-21,23-24,29H,7-12H2,1-5H3/b13-6+/t14-,16+,17+,18-,19+,20+,21-,23-,24?,25+,26+,27+/m1/s1
InChIKey: InChIKey=DBRRHXZMVDOQTA-WUOACFOTSA-N
Formula: C27H38O9
Molecular Weight: 506.586262
Exact Mass: 506.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Vassallo, N., Simmonds, M.S.J. Phytochemistry (1999) 50, 973-6
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) | 8.5 |
| 2 (CH) | 67.2 |
| 3 (CH2) | 36.9 |
| 4 (C) | 60.6 |
| 5 (C) | 41.6 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 33 |
| 8 (CH) | 35.4 |
| 9 (C) | 41.1 |
| 10 (CH) | 41 |
| 11 (CH) | 84.4 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 38.8 |
| 15 (CH) | 98.7 |
| 16 (CH) | 107.9 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 50.1 |
| 19 (CH) | 91.5 |
| 20 (CH3) | 14 |
| 6a (C) | 170 |
| 6b (CH3) | 20.9 |
| 19a (C) | 166.3 |
| 19b (C) | 128.9 |
| 19c (CH) | 138.3 |
| 19d (CH3) | 14.5 |
| 19ba (CH3) | 11.9 |
