Spektraris NMR
Cratoxyarborenone A
Common Name: Cratoxyarborenone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-18-20(29)13-22(31)28-24(18)27(33)25-23(34-28)14-21(30)19(26(25)32)11-9-16(3)4/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey: InChIKey=ZAXOSWZCOUYSSE-LICLKQGHSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Seo, E.K., Kim, N.C., Wani, M.C., Wall, M.E., Navarro, H.A., Burgess, J.P., Kawanishi, K., Kardono, L.B., Riswan, S., Rose, W.C., Fairchild, C.R., Farnsworth, N.R., Kinghorn, A.D. J Nat Prod (2002) 65, 299-305
Species:
Notes: Family : Aromatics, Type : Xanthones; 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 (C) | 161.7 |
| 2 (C) | 110.8 |
| 3 (C) | 162.6 |
| 4 (CH) | 92.9 |
| 4a (C) | 155.7 |
| 5 (C) | 153.5 |
| 6 (CH) | 101.1 |
| 7 (C) | 141.5 |
| 8 (C) | 112.1 |
| 8a (C) | 129.2 |
| 9 (C) | 183.1 |
| 9a (C) | 103.8 |
| 10a (C) | 152.2 |
| 1' (CH2) | 22 |
| 2' (CH) | 123.5 |
| 3' (C) | 131.3 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.9 |
| 1'' (CH2) | 26.3 |
| 2'' (CH) | 124.4 |
| 3'' (C) | 135 |
| 4'' (CH2) | 40.6 |
| 5'' (CH3) | 16.6 |
| 6'' (CH2) | 27.4 |
| 7'' (CH) | 125.2 |
| 8'' (C) | 131.5 |
| 9'' (CH3) | 25.7 |
| 10'' (CH3) | 17.7 |
