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: C5D5N
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) | 26.4 |
| 2 (CH2) | 21.8 |
| 3 (CH2) | 35.2 |
| 4 (C) | 40.5 |
| 5 (C) | 142.3 |
| 6 (CH) | 120.4 |
| 7 (CH2) | 30.7 |
| 8 (CH) | 36.4 |
| 9 (C) | 35.1 |
| 10 (CH) | 48.1 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 32.8 |
| 13 (C) | 36.6 |
| 14 (CH2) | 39.4 |
| 15 (CH) | 151.5 |
| 16 (CH2) | 109.6 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 25.5 |
| 19 (CH2) | 74.1 |
| 20 (CH3) | 12.4 |
| 1' (CH) | 109 |
| 2' (CH) | 83.9 |
| 3' (CH) | 79 |
| 4' (CH) | 85.6 |
| 5' (CH2) | 62.9 |
