Spektraris NMR
Scopararane B
Common Name: Scopararane B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-5-17(4)9-11(21)13-12(14(17)22)15(23)19(24)20(25)16(2,3)7-6-8-18(13,20)10-26-19/h5,11,14,21-22,24-25H,1,6-10H2,2-4H3/t11-,14+,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=SKVSRCSHPJLAFK-KAPBYQHOSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pongcharoen, W., Rukachaisirikul, V., Phongpaichit, S., Rungjindamai, N., Sakayaroj, J. J Nat Prod (2006) 69, 856-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 23.8 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 37.6 |
| 4 (C) | 36.8 |
| 5 (C) | 81.1 |
| 6 (C) | 104.9 |
| 7 (C) | 194.6 |
| 8 (C) | 132.3 |
| 9 (C) | 164.6 |
| 10 (C) | 54.2 |
| 11 (CH) | 70 |
| 12 (CH2) | 40.1 |
| 13 (C) | 39.8 |
| 14 (CH) | 64.5 |
| 15 (CH) | 143.8 |
| 16 (CH2) | 115.1 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 28 |
| 19 (CH3) | 24.1 |
| 20 (CH2) | 70.4 |
