Spektraris NMR
(1S*,4S*,5S*,9R*,11S*,13E)-15,16-dihydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one 16-O-acetyl
Common Name: (1S*,4S*,5S*,9R*,11S*,13E)-15,16-dihydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one 16-O-acetyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-6-7-19-22(5,27-19)11-8-17-16(14)12-21(17,4)18(24)9-10-20(3,25)13-26-15(2)23/h9-10,16-17,19,25H,1,6-8,11-13H2,2-5H3/b10-9+/t16-,17-,19-,20?,21-,22-/m0/s1
InChIKey: InChIKey=BMMACXIDZCGXSC-MZUQZABASA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
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) | 45.3 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 38.6 |
| 4 (C) | 59.6 |
| 5 (CH) | 63.6 |
| 6 (CH2) | 30 |
| 7 (CH2) | 29.7 |
| 8 (C) | 150.7 |
| 9 (CH) | 47.3 |
| 10 (CH2) | 35.2 |
| 11 (C) | 47.8 |
| 12 (C) | 203.1 |
| 13 (CH) | 123.1 |
| 14 (CH) | 148.8 |
| 15 (C) | 72.6 |
| 16 (CH2) | 70.5 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 17.1 |
| 19 (CH2) | 114.1 |
| 20 (CH3) | 16.9 |
| 16a (C) | 171.1 |
| 16b (CH3) | 20.9 |
