Spektraris NMR
Scuterulein D
Common Name: Scuterulein D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-7-8-19(29)34-23-22(33-16(3)27)25(5)15(2)9-10-18(28)21(25)24(4,26(23,6)31)12-11-17-13-20(30)32-14-17/h11-13,18,21-23,28,31H,2,7-10,14H2,1,3-6H3/b12-11+/t18-,21-,22+,23+,24-,25+,26+/m1/s1
InChIKey: InChIKey=CZVDOSTXFXGDEB-BTVLSMNRSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Esquivel, B., Dominguez, R.M., Toscano, R.A. J Nat Prod (2001) 64, 778-82
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 (CH) | 68.1 |
| 2 (CH2) | 37.7 |
| 3 (CH2) | 31 |
| 4 (C) | 152 |
| 5 (C) | 45.6 |
| 6 (CH) | 73 |
| 7 (CH) | 74.6 |
| 8 (C) | 77.7 |
| 9 (C) | 47.4 |
| 10 (CH) | 53.8 |
| 11 (CH) | 150.6 |
| 12 (CH) | 117.3 |
| 13 (C) | 162.5 |
| 14 (CH) | 114.1 |
| 15 (C) | 174.2 |
| 16 (CH2) | 70.8 |
| 17 (CH3) | 18 |
| 18 (CH2) | 105.3 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 15.3 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.1 |
| 7a (C) | 176.3 |
| 7b (CH2) | 34.1 |
| 7c (CH2) | 19.3 |
| 7d (CH3) | 18.7 |
