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(7S,9S,1' RS)-7,9-Dihydroxy-9-(1'-hydroxyethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
SpectraBase Compound ID 3IS8t2noR7h
InChI InChI=1S/C22H22O7/c1-10(23)22(27)8-13-15(14(24)9-22)21(29-3)17-16(20(13)28-2)18(25)11-6-4-5-7-12(11)19(17)26/h4-7,10,14,23-24,27H,8-9H2,1-3H3/t10-,14+,22+/m1/s1
InChIKey JTQZTTDJKRYUNV-OBJCXTSSSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M7Mf61FxTx
Name (7S,9S,1' RS)-7,9-Dihydroxy-9-(1'-hydroxyethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-10(23)22(27)8-13-15(14(24)9-22)21(29-3)17-16(20(13)28-2)18(25)11-6-4-5-7-12(11)19(17)26/h4-7,10,14,23-24,27H,8-9H2,1-3H3/t10-,14+,22+/m1/s1
InChIKey JTQZTTDJKRYUNV-OBJCXTSSSA-N
Molecular Weight 398.411 g/mol
SMILES O[C@@]1(c2c(c3c(c(c2C[C@](C1)([C@](O)(C)[H])O)OC)C(c1ccccc1C3=O)=O)OC)[H]
SPLASH splash10-0udi-0009000000-768e7bd6fd7114186472
Source of Spectrum B-52-797-74
Synonyms (7S,9S)-7,9-Dihydroxy-9-((R)-1-hydroxy-ethyl)-6,11-dimethoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione
Wiley ID 810857