Spektraris NMR
ent-l9-acetoxy-3b,16b-dihydroxykauran-15one
Common Name: ent-l9-acetoxy-3b,16b-dihydroxykauran-15one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13(23)27-12-20(3)15-7-10-22-11-14(21(4,26)18(22)25)5-6-16(22)19(15,2)9-8-17(20)24/h14-17,24,26H,5-12H2,1-4H3/t14-,15+,16+,17-,19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=KCSYMGMQZDLNQE-WPXKSDBISA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Boaventura, M.A.D., Hanson, J.R., Hitchcock, P.B., Takahashi, J.A. Phytochemistry (1994) 37, 387-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 37 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 77.8 |
| 4 (C) | 41.2 |
| 5 (CH) | 53.9 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.8 |
| 8 (C) | 52 |
| 9 (CH) | 51.8 |
| 10 (C) | 38.1 |
| 11 (CH2) | 17.4 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 40.3 |
| 14 (CH2) | 33.7 |
| 15 (C) | 220.4 |
| 16 (C) | 76.2 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 17.3 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 16.6 |
| 19a (C) | 170.1 |
| 19b (CH3) | 20.1 |
