Spektraris NMR
Scopararane A
Common Name: Scopararane A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-5-16(4)9-10-18(22)13(11-16)14(21)19(23)20(24)15(2,3)7-6-8-17(18,20)12-25-19/h5,11,22-24H,1,6-10,12H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1
InChIKey: InChIKey=KPUJVADRTZEHMX-UHZRXMQZSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 22.1 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 37.4 |
| 4 (C) | 37.1 |
| 5 (C) | 81.7 |
| 6 (C) | 104.3 |
| 7 (C) | 196 |
| 8 (C) | 135 |
| 9 (C) | 74.6 |
| 10 (C) | 49.3 |
| 11 (CH2) | 27.2 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.3 |
| 14 (CH) | 150.5 |
| 15 (CH) | 144.9 |
| 16 (CH2) | 112.9 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 27 |
| 19 (CH3) | 23.5 |
| 20 (CH2) | 68.5 |
