Spektraris NMR
Excavatolide X
Common Name: Excavatolide X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O12/c1-9-10-23(34)40-20-11-12-27(6)21(38-17(4)32)14-19(37-16(3)31)15(2)13-22-30(29(8,42-30)26(35)41-22)25(39-18(5)33)24(27)28(20,7)36/h11-13,19-22,24-25,36H,9-10,14H2,1-8H3/b15-13-/t19-,20-,21+,22+,24?,25+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=HXGIUWPPFBGYTC-LMSXFTHVSA-N
Formula: C30H40O12
Molecular Weight: 592.632566
Exact Mass: 592.251977
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Su, J.H., Wang, G.H., Duh, C.Y., Shen, Y.C., Chiang, M.Y., Chen, I.T. J Nat Prod (1999) 62, 1415-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 45.4 |
| 2 (CH) | 76.7 |
| 3 (CH2) | 39.1 |
| 4 (CH) | 72.1 |
| 5 (C) | 145.4 |
| 6 (CH) | 122.4 |
| 7 (CH) | 73.5 |
| 8 (C) | 70.1 |
| 9 (CH) | 66.8 |
| 10 (CH) | 44.1 |
| 11 (C) | 73.4 |
| 12 (CH) | 73.3 |
| 13 (CH) | 120.6 |
| 14 (CH) | 141.7 |
| 15 (CH3) | 18.3 |
| 16 (CH3) | 25.6 |
| 17 (C) | 62.3 |
| 18 (CH3) | 9.6 |
| 19 (C) | 171.2 |
| 20 (CH3) | 27.8 |
| 2a (C) | 168.9 |
| 2b (CH3) | 20.9 |
| 4a (C) | 169.8 |
| 4b (CH3) | 21 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.7 |
| 12a (C) | 172.7 |
| 12b (CH2) | 36.1 |
| 12c (CH2) | 18.3 |
| 12d (CH3) | 13.6 |
