Spektraris NMR
Sagittines E
Common Name: Sagittines E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O7/c1-7-27(4)13-14-29(6)20(15-27)10-11-21-22(29)9-8-12-28(21,5)17-34-26-25(35-19(3)31)24(32)23(36-26)16-33-18(2)30/h7,11,20,22-26,32H,1,8-10,12-17H2,2-6H3/t20-,22-,23-,24-,25+,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=OCJCDEIWDLGIQG-PIKHAZSCSA-N
Formula: C29H44O7
Molecular Weight: 504.656569
Exact Mass: 504.308704
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X.T., Pan, Q., Shi, Y., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. J Nat Prod (2006) 69, 255-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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) | 25.9 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 35 |
| 4 (C) | 39.8 |
| 5 (C) | 141.1 |
| 6 (CH) | 120.8 |
| 7 (CH2) | 30.2 |
| 8 (CH) | 36 |
| 9 (C) | 34.8 |
| 10 (CH) | 47.7 |
| 11 (CH2) | 34 |
| 12 (CH2) | 32.3 |
| 13 (C) | 36.2 |
| 14 (CH2) | 39 |
| 15 (CH) | 151.3 |
| 16 (CH2) | 108.6 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 24.8 |
| 19 (CH2) | 74 |
| 20 (CH3) | 12.1 |
| 1' (CH) | 106 |
| 2' (CH) | 84.5 |
| 3' (CH) | 76.6 |
| 4' (CH) | 81.8 |
| 5' (CH2) | 63.6 |
| 2'a (C) | 170.9 |
| 2'b (CH3) | 20.7 |
| 5'a (C) | 170.6 |
| 5'b (CH3) | 20.7 |
