Spektraris NMR
Sagittines B
Common Name: Sagittines B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O5/c1-5-23(2)11-12-25(4)16(13-23)8-9-17-18(25)7-6-10-24(17,3)15-29-22-21(28)20(27)19(14-26)30-22/h5,9,16,18-22,26-28H,1,6-8,10-15H2,2-4H3/t16-,18-,19-,20-,21+,22+,23-,24+,25-/m0/s1
InChIKey: InChIKey=VNFVCQOGUQDMEA-RGIBMUORSA-N
Formula: C25H40O5
Molecular Weight: 420.583052
Exact Mass: 420.287574
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) | 21.1 |
| 3 (CH2) | 35 |
| 4 (C) | 39.7 |
| 5 (C) | 141.2 |
| 6 (CH) | 120.7 |
| 7 (CH2) | 30.2 |
| 8 (CH) | 35.9 |
| 9 (C) | 34.7 |
| 10 (CH) | 47.6 |
| 11 (CH2) | 34 |
| 12 (CH2) | 32.3 |
| 13 (C) | 36.1 |
| 14 (CH2) | 38.9 |
| 15 (CH) | 151.2 |
| 16 (CH2) | 108.6 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 24.9 |
| 19 (CH2) | 73.7 |
| 20 (CH3) | 12.1 |
| 1' (CH) | 108 |
| 2' (CH) | 79.2 |
| 3' (CH) | 77.5 |
| 4' (CH) | 86.3 |
| 5' (CH2) | 61.4 |
