Gymnastatin A
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | IVGpxXrvovQ |
|---|---|
| InChI | InChI=1S/C23H31Cl2NO4/c1-4-5-6-7-8-15(2)11-16(3)9-10-20(27)26-19-14-23(30-22(19)29)12-17(24)21(28)18(25)13-23/h9-13,15,19,22,29H,4-8,14H2,1-3H3,(H,26,27)/b10-9+,16-11+/t15-,19+,22-/m1/s1 |
| InChIKey | NGXMXBNROHVABT-JSWNYRKASA-N |
| Mol Weight | 456.41 g/mol |
| Molecular Formula | C23H31Cl2NO4 |
| Exact Mass | 455.163014 g/mol |
| Enantiomer InChIKey | NGXMXBNROHVABT-CNNDMPJLSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-0-3594-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(3S)-3-[Bis(benzyloxycarbonyl)amino]-1-oxaspiro[4.5]deca-7,10-diene-2,8-dione
ACULEATIN_F;2-R*,4-R*,6-R*-4-HYDROXY-2-UNDECYL-1,7-DIOXADISPIRO-[5.1.5.2]-PENTADECA-9,12-DIEN-11-ONE
Aculeatin A
(2S,4R,6R)-2-hydroxy-4-tridecyl-5,7-dioxadispiro[5.1.5^{8}.2^{6}]pentadeca-9,12-dien-11-one
ACULEATIN_E;2-R*,4-S*,6-S*-4-HYDROXY-2-UNDECYL-1,7-DIOXADISPIRO-[5.1.5.2]-PENTADECA-9,12-DIEN-11-ONE
Aculeatin B
ACULEATIN-D;REL-(2R,4S,6S)-4-HYDROXY-2-TRIDECYL-1,7-DIOXA-DISPIRO-[5.1.5.2]-PENTADECA-9,12-DIEN-11-ONE
(3S,5,8syn)-3-[Bis(tert-butoxycarbonyl)amino]-8-hydroxy-8-methyl-1-oxaspiro[4.5]deca-7,10-diene-2-one
P-Vinylcarbonylamino-phenyl 2-acetamido-2-deoxy-B-D-glucopyranoside
3-t-Butyl-6,6-dimethyl-2,8-dioxo-3-azabicyclo[3.3.0]octane
| Title | Journal or Book | Year |
|---|---|---|
| Absolute stereostructures of novel cytotoxic metabolites, gymnastatins A–E, from a Gymnascella species separated from a Halichondria sponge | Journal of the Chemical Society, Perkin Transactions 1 | 1998 |
This compound is available in the following databases:
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.