13-DEACETOXY-13,15-EPOXY-11-(15->1)-ABEO-13-EPI-BACCATIN-VI
Compound with spectra: 1 NMR
| SpectraBase Compound ID | IkkFiDD3DXT |
|---|---|
| InChI | InChI=1S/C35H42O12/c1-17-23-15-34(32(6,7)47-23)26(17)27(43-19(3)37)29(44-20(4)38)33(8)24(42-18(2)36)14-25-35(16-41-25,46-21(5)39)28(33)30(34)45-31(40)22-12-10-9-11-13-22/h9-13,23-25,27-30H,14-16H2,1-8H3/t23-,24+,25-,27-,28+,29+,30+,33-,34+,35+/m1/s1 |
| InChIKey | FUKMYZYWPILOFM-UALRYOCGSA-N |
| Mol Weight | 654.7 g/mol |
| Molecular Formula | C35H42O12 |
| Exact Mass | 654.267627 g/mol |
| Enantiomer InChIKey | FUKMYZYWPILOFM-IDKBDNDQSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
1,6-Dioxaspiro[4.5]decane-7-hexanoic acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-(hydroxym ethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.delta.-methoxy-.epsilon.,2,8-trimethyl-, methyl ester, diacetate
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
4H,6H,15H,17H-Tetrapyrano[2,3-f:2',3'-f':2'',3''-h:2''',3'''-h']cyclo buta[1,2-c:4,3-c']bis[1]benzopyran-4,17-dione, 10,10a,10b,11,20c,20d-hexahydro-2,6,6,10,10,11,11,15,15,19-decamethyl-, [10aS-(10a.alpha.,10b.beta.,20c.beta.,20d.alpha.)]-
Water-dilutable, short-oil alkyd based on dehydrated castor oil (34% triglycerides, 25% phthalic anhydride); 55% solution in an aqueous glycol ether-alcohol mixture, neutralized with dimethylethanolamine
Benzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione, 8,13-bis(acetyloxy)-4-chloro-4,5,8,8a,9,10,12,12a,13,13a-decahydro-13a-hydroxy-1,8a,12-trimethyl-5-methylene-, [1R-(1R*,3aR*,4S*,6Z,8S*,8aS*,12R*,12aS*,13S*,13aR*)]-
(2S,5S,7R,9S,10S,12R,13Z,15R)-15-Acetoxy-2-[(2R,5R,6S)-5-ethyl-6-hydroxy-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-2,10,12-trimethyl-1,6,8-trioxodispiro[4.1.5.3]pentadec-13-ene
Methyl (3R*,3aS*,6S*,7R*,8S*)-8-[(t-butyldimethylsilyl)oxy]-5,5-(2'',2''-dimethylpropane-1'',3''-diyldioxy)-7-hydroxy-3-(prop-2'-enyl)-3-propionyloxy-2,3,4,5,6,7-hexahydro-3a,6-ethano-3aH-indene-1-carboxylate
(1aR,3S,4-R,4aS,5S,8aS,9aS)-2,3,4,4a,5,7,8a,9-Octahydro-5,8a-dihydroxy-4,4a,6-trimethyl-7-oxo-1aH-oxireno[2,3:8,8a]-naphtho[2',3'-b]furan-3-yl (E)-2-Methylbut-2-enoate (E)-2-Methylbut-2-enoate(1aR,3S,4-R,4aS,5S,8aS,9aS)-2,3,4,4a,5,7,8a,9-Octahydro-5,8a-dihydroxy-4,4a,6-trimethyl-7-oxo-1aH-oxireno[2',3':8,8a]-naphtho[2,3-b]furan-3-yl (E)-2-Methylbut-2-enoate
| Title | Journal or Book | Year |
|---|---|---|
| Chemistry and occurrence of taxane derivatives. Part 16. Rearranged taxoids from Taxus×media Rehd. cv Hicksii. X-Ray molecular structure of 9-O-benzoyl-9,10-dide-O-acetyl-11(15 → 1)abeo-baccatin VI | J. Chem. Soc., Perkin Trans. 1 | 1994 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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