Spektraris NMR
Microclavatin
Common Name: Microclavatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12-6-7-14-15(19(14,3)4)11-13(2)16(21)8-9-20(5)18(23-20)17(22)10-12/h8-9,11-12,14-15,18H,6-7,10H2,1-5H3/b9-8+,13-11+/t12-,14-,15+,18-,20+/m0/s1
InChIKey: InChIKey=XMAKUNDAGAVHGP-XWUHLNSPSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, C.X., Yan, S.J., Zhang, G.W., Lu, W.G., Su, J.Y., Zeng, L.M., Gu, L.Q., Yang, X.P., Lian, Y.J. J Nat Prod (2005) 68, 1087-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Casbanes; 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) | 34 |
| 2 (CH) | 27.5 |
| 3 (CH) | 146 |
| 4 (C) | 137.3 |
| 5 (C) | 196.4 |
| 6 (CH) | 134.8 |
| 7 (CH) | 137.6 |
| 8 (C) | 61.6 |
| 9 (CH) | 66.2 |
| 10 (C) | 203.9 |
| 11 (CH2) | 49.5 |
| 12 (CH) | 29.8 |
| 13 (CH2) | 36.3 |
| 14 (CH2) | 23.8 |
| 15 (C) | 26.6 |
| 16 (CH3) | 29.1 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 11.8 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 21.8 |
