Spektraris NMR
Sagittines C
Common Name: Sagittines C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O6/c1-6-25(3)12-13-27(5)18(14-25)9-10-19-20(27)8-7-11-26(19,4)16-32-24-23(30)22(29)21(33-24)15-31-17(2)28/h6,10,18,20-24,29-30H,1,7-9,11-16H2,2-5H3/t18-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey: InChIKey=PTURMPOJGSCRLC-WJSBELDJSA-N
Formula: C27H42O6
Molecular Weight: 462.61981
Exact Mass: 462.298139
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) | 25.8 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 35.2 |
| 4 (C) | 39.8 |
| 5 (C) | 141.1 |
| 6 (CH) | 120.8 |
| 7 (CH2) | 30.3 |
| 8 (CH) | 36 |
| 9 (C) | 34.8 |
| 10 (CH) | 47.7 |
| 11 (CH2) | 34.1 |
| 12 (CH2) | 32.3 |
| 13 (C) | 36.2 |
| 14 (CH2) | 39 |
| 15 (CH) | 151.3 |
| 16 (CH2) | 108.6 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 24.9 |
| 19 (CH2) | 74 |
| 20 (CH3) | 12.1 |
| 1' (CH) | 108 |
| 2' (CH) | 79.5 |
| 3' (CH) | 78 |
| 4' (CH) | 84.2 |
| 5' (CH2) | 64.1 |
| 5'a (C) | 170.4 |
| 5'b (CH3) | 20.8 |
