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2-(benzyloxy)-6,11-dimethoxy-4a.beta.,5.beta.-dihydroxy-1,2,3,4,4a,5,12,12a.beta.-octahydronaphthacene
SpectraBase Compound ID GmfEfK7ezfK
InChI InChI=1S/C27H30O5/c1-30-25-18-10-6-7-11-19(18)26(31-2)22-14-20-17(12-21(22)25)13-23(28)27(24(20)29)32-15-16-8-4-3-5-9-16/h3-11,17,20,23-24,27-29H,12-15H2,1-2H3/t17-,20?,23?,24?,27?/m0/s1
InChIKey IBSPHEZXMLSDKB-LYIKHOCFSA-N
Mol Weight 434.53 g/mol
Molecular Formula C27H30O5
Exact Mass 434.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqlJ5RdjIxy
Name 2-(benzyloxy)-6,11-dimethoxy-4a.beta.,5.beta.-dihydroxy-1,2,3,4,4a,5,12,12a.beta.-octahydronaphthacene
Alternate Name(s) 2-(benzyloxy)-6,11-dimethoxy-4a.beta.,5.beta.-dihydroxy-1,2,3,4,4a,5,12,12a.alpha.-octahydronaphthacene (4aS)-2-(benzyloxy)-6,11-dimethoxy-1,2,3,4,4a,5,12,12a-octahydro-1,3-naphthacenediol
CAS Registry Number 114506-30-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O5
InChI InChI=1S/C27H30O5/c1-30-25-18-10-6-7-11-19(18)26(31-2)22-14-20-17(12-21(22)25)13-23(28)27(24(20)29)32-15-16-8-4-3-5-9-16/h3-11,17,20,23-24,27-29H,12-15H2,1-2H3/t17-,20?,23?,24?,27?/m0/s1
InChIKey IBSPHEZXMLSDKB-LYIKHOCFSA-N
Molecular Weight 434.532 g/mol
SMILES OC1C(C(C2[C@](C1)(Cc1c(C2)c(c2c(c1OC)cccc2)OC)[H])O)OCc1ccccc1
SPLASH splash10-001i-0001900000-bd01acefa00cdf5e6a02
Source of Spectrum J-53-2977-14
Wiley ID 1383067