Spektraris NMR
(1S*,4S*,5S*,9R*,11S*,13E)-15,16-dihydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one
Common Name: (1S*,4S*,5S*,9R*,11S*,13E)-15,16-dihydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-5-6-17-20(4,24-17)10-7-15-14(13)11-19(15,3)16(22)8-9-18(2,23)12-21/h8-9,14-15,17,21,23H,1,5-7,10-12H2,2-4H3/b9-8+/t14-,15-,17-,18?,19-,20-/m0/s1
InChIKey: InChIKey=JDMFCROXXFSLJV-CXEGMOODSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.P., Su, J.H., Ahmed, A.F., Dai, C.F., Wu, Y.C., Sheu, J.H. Chem Pharm Bull (2007) 55, 1471-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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) | 45.2 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 38.5 |
| 4 (C) | 59.6 |
| 5 (CH) | 63.6 |
| 6 (CH2) | 30 |
| 7 (CH2) | 29.6 |
| 8 (C) | 150.6 |
| 9 (CH) | 47.3 |
| 10 (CH2) | 35.1 |
| 11 (C) | 47.7 |
| 12 (C) | 203.2 |
| 13 (CH) | 123.3 |
| 14 (CH) | 149.9 |
| 15 (C) | 73.7 |
| 16 (CH2) | 69.2 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 17 |
| 19 (CH2) | 114.1 |
| 20 (CH3) | 16.8 |
