Spektraris NMR
Siphonol E
Common Name: Siphonol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H44O14/c1-21(42)49-28-17-27-36(4,5)31(51-23(3)44)29(50-22(2)43)32(53-34(46)25-15-11-8-12-16-25)38(27,20-41)30-26(52-33(45)24-13-9-7-10-14-24)18-37(6,19-40)35(47)39(28,30)48/h7-16,19,26-32,41,48H,17-18,20H2,1-6H3/t26-,27+,28-,29+,30-,31-,32+,37-,38+,39+/m1/s1
InChIKey: InChIKey=GZGMTWJDIWUSBB-LCIFRFTDSA-N
Formula: C39H44O14
Molecular Weight: 736.759762
Exact Mass: 736.273106
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. Chem Pharm Bull (2003) 51, 268-75
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 (CH) | 69.1 |
| 2 (CH) | 67 |
| 3 (CH) | 75.6 |
| 4 (C) | 37.4 |
| 5 (CH) | 37.5 |
| 6 (CH2) | 22 |
| 7 (CH) | 69.4 |
| 8 (C) | 74.8 |
| 9 (CH) | 45.1 |
| 10 (C) | 49 |
| 11 (CH) | 69 |
| 12 (CH2) | 32.8 |
| 13 (C) | 56.3 |
| 14 (C) | 204.9 |
| 15 (CH) | 199 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 21.8 |
| 20 (CH2) | 62.7 |
| 1a (C) | 165.3 |
| 1b (C) | 129.5 |
| 1c (CH) | 129.3 |
| 1d (CH) | 127.9 |
| 1e (CH) | 132.9 |
| 1f (CH) | 127.9 |
| 1g (CH) | 129.3 |
| 2a (C) | 170.5 |
| 2b (CH3) | 20.7 |
| 3a (C) | 170.3 |
| 3b (CH3) | 20.5 |
| 7a (C) | 169.3 |
| 7b (CH3) | 21.3 |
| 11a (C) | 164.6 |
| 11b (C) | 129.2 |
| 11c (CH) | 129.1 |
| 11d (CH) | 127.8 |
| 11e (CH) | 132.4 |
| 11f (CH) | 127.8 |
| 11g (CH) | 129.1 |
