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(14S)-7.beta.,14,15-Triacetoxy-8,13-epoxylabdane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(14S)-7.beta.,14,15-Triacetoxy-8,13-epoxylabdane
SpectraBase Compound ID GVqYF1iE62w
InChI InChI=1S/C26H42O7/c1-16(27)30-15-22(32-18(3)29)25(7)13-10-19-24(6)12-9-11-23(4,5)20(24)14-21(31-17(2)28)26(19,8)33-25/h19-22H,9-15H2,1-8H3/t19-,20+,21+,22+,24-,25-,26+/m1/s1
InChIKey BQLCQUOBHXVNKB-XMVJTNDFSA-N
Mol Weight 466.6 g/mol
Molecular Formula C26H42O7
Exact Mass 466.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bZ3Jfg8gKR
Name (14S)-7.beta.,14,15-Triacetoxy-8,13-epoxylabdane
CAS Registry Number 76581-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O7
InChI InChI=1S/C26H42O7/c1-16(27)30-15-22(32-18(3)29)25(7)13-10-19-24(6)12-9-11-23(4,5)20(24)14-21(31-17(2)28)26(19,8)33-25/h19-22H,9-15H2,1-8H3/t19-,20+,21+,22+,24-,25-,26+/m1/s1
InChIKey BQLCQUOBHXVNKB-XMVJTNDFSA-N
Molecular Weight 466.615 g/mol
SMILES [C@@]12(O[C@]([C@@](OC(=O)C)(COC(=O)C)[H])(C)CC[C@@]1([C@]1(CCCC([C@@]1(C[C@@]2(OC(=O)C)[H])[H])(C)C)C)[H])C
SPLASH splash10-03di-3191000000-1c553676745e05999076
Source of Spectrum J-46-1917-0
Synonyms (1S)-1-[(3R,4aS,5S,6aS,10aS,10bR)-5-(acetyloxy)-3,4a,7,7,10a-pentamethyldodecahydro-1H-benzo[f]chromen-3-yl]-2-(acetyloxy)ethyl acetate Acetic acid[(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetoxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetoxy-ethyl]ester Acetic acid[(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-3-yl]-2-acetyloxyethyl]ester [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetoxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetoxy-ethyl]acetate [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetyloxy-ethyl]ethanoate [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetyloxyethyl]acetate Acetic acid [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran-3-yl]-2-acetyloxyethyl] ester [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetyloxyethyl] acetate [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetoxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetoxy-ethyl] acetate [(2S)-2-[(3R,4aS,5S,6aS,10aS,10bR)-5-acetyloxy-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]-2-acetyloxy-ethyl] ethanoate
Wiley ID 1391974