Spektraris NMR
1α,12β-Dihydroxy-6α-acetoxy-ent-kaura-9(11),16-dien-15-one
Common Name: 1α,12β-Dihydroxy-6α-acetoxy-ent-kaura-9(11),16-dien-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-11-13-9-22(19(11)26)10-15(27-12(2)23)18-20(3,4)7-6-17(25)21(18,5)16(22)8-14(13)24/h8,13-15,17-18,24-25H,1,6-7,9-10H2,2-5H3/t13-,14-,15+,17+,18-,21-,22+/m1/s1
InChIKey: InChIKey=OUOLSVCEHYECNL-JLBPZFPESA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Qu, J.B., Zhu, R.L., Zhang, Y.L., Guo, H.F., Wang, X.N., Xie, C.F., Yu, W.T., Ji, M., Lou, H.X. J Nat Prod (2008) 71, 1418-22
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 (CH) | 78.6 |
| 2 (CH2) | 30 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.5 |
| 5 (CH) | 47.7 |
| 6 (CH) | 67.9 |
| 7 (CH2) | 34.4 |
| 8 (C) | 50.9 |
| 9 (C) | 149.8 |
| 10 (C) | 44.8 |
| 11 (CH) | 127.9 |
| 12 (CH) | 71.2 |
| 13 (CH) | 44.8 |
| 14 (CH2) | 44.8 |
| 15 (C) | 204.5 |
| 16 (C) | 145.6 |
| 17 (CH2) | 120.5 |
| 18 (CH3) | 32.3 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.9 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.7 |
