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(1R*,3R*)-1,11-DIACETOXY-8-HYDROXY-6-METHOXY-3-METHYL-1,2,3,4,6,6A,12A,12B-OCTAHYDROBENZO-[A]-ANTHRACENE-7,12-DIONE

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

(1R*,3R*)-1,11-DIACETOXY-8-HYDROXY-6-METHOXY-3-METHYL-1,2,3,4,6,6A,12A,12B-OCTAHYDROBENZO-[A]-ANTHRACENE-7,12-DIONE
SpectraBase Compound ID KSZbEVR59pY
InChI InChI=1S/C24H26O8/c1-10-7-13-9-16(30-4)21-22(18(13)17(8-10)32-12(3)26)24(29)20-15(31-11(2)25)6-5-14(27)19(20)23(21)28/h5-6,9-10,16-18,21-22,27H,7-8H2,1-4H3/t10-,16-,17-,18-,21-,22+/m0/s1
InChIKey GLNGAJNFSSZPDN-YAPBMHDBSA-N
Mol Weight 442.46 g/mol
Molecular Formula C24H26O8
Exact Mass 442.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAStcOSPyY3
Name 1,11-diacetoxy-8-hydroxy-6-methoxy-3-methyl-1,2,3,4,6,6a,12a,12b-octahydrobenz[a]anthracene-7-12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O8
InChI InChI=1S/C24H26O8/c1-10-7-13-9-16(30-4)21-22(18(13)17(8-10)32-12(3)26)24(29)20-15(31-11(2)25)6-5-14(27)19(20)23(21)28/h5-6,9-10,16-18,21-22,27H,7-8H2,1-4H3/t10-,16-,17-,18-,21-,22+/m0/s1
InChIKey GLNGAJNFSSZPDN-YAPBMHDBSA-N
Molecular Weight 442.464 g/mol
SMILES Oc1c2c(C([C@]3([C@@]([C@](C=C4[C@]3([C@@](OC(=O)C)(C[C@@](C)(C4)[H])[H])[H])(OC)[H])([H])C2=O)[H])=O)c(OC(=O)C)cc1
SPLASH splash10-0a4l-0009000000-4346e1e154bddbdd66ca
Source of Spectrum JA-50-301-0
Synonyms (1R*,3R*)-1,11-diacetoxy-8-hydroxy-6-methoxy-3-methyl-1,2,3,4,6,6a,12a,12b-octahydrobenz[a]anthracene-7-12-dione (1R,3R)-1-(acetyloxy)-8-hydroxy-6-methoxy-3-methyl-7,12-dioxo-1,2,3,4,6,6a,7,12,12a,12b-decahydrobenzo[a]anthracen-11-yl acetate Acetic acid (1S,3S,6S,6aR,12aR,12bS)-1-acetoxy-8-hydroxy-6-methoxy-3-methyl-7,12-dioxo-1,2,3,4,6,6a,7,12,12a,12b-decahydro-benzo[a]anthracen-11-yl ester Acetic acid [(1S,3S,6S,6aR,12aR,12bS)-11-acetyloxy-8-hydroxy-6-methoxy-3-methyl-7,12-dioxo-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracen-1-yl] ester [(1S,3S,6S,6aR,12aR,12bS)-11-acetyloxy-8-hydroxy-6-methoxy-3-methyl-7,12-dioxo-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracen-1-yl] acetate [(1S,3S,6S,6aR,12aR,12bS)-11-acetoxy-8-hydroxy-6-methoxy-3-methyl-7,12-dioxo-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracen-1-yl] acetate [(1S,3S,6S,6aR,12aR,12bS)-11-acetyloxy-6-methoxy-3-methyl-8-oxidanyl-7,12-bis(oxidanylidene)-1,2,3,4,6,6a,12a,12b-octahydrobenzo[a]anthracen-1-yl] ethanoate
Wiley ID 1385316