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(7R,9S,1' RS)-7,9-Dihydroxy-9-(1'-hydroxyethyl)-6,11-dimethoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
SpectraBase Compound ID 9llVmqqdlh5
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-/m0/s1
InChIKey JTQZTTDJKRYUNV-OIAWAGMISA-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 LNsM4zU4TcY
Name (7R,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-/m0/s1
InChIKey JTQZTTDJKRYUNV-OIAWAGMISA-N
Molecular Weight 398.411 g/mol
SMILES O[C@]([C@@]1(Cc2c(c3c(C(c4ccccc4C3=O)=O)c(OC)c2[C@@](C1)(O)[H])OC)O)(C)[H]
SPLASH splash10-0f6t-0009000000-1b32a8a03a72d0739dbd
Source of Spectrum B-52-797-78
Wiley ID 810856