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[7R-(7a,9a)]-9-chloro-11-hydroxy-7-[(1'R,3'R)-3'-hydroxy-1'-methylbutoxy]-6-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione

View entire compound with spectra: 1 MS (GC)

[7R-(7a,9a)]-9-chloro-11-hydroxy-7-[(1'R,3'R)-3'-hydroxy-1'-methylbutoxy]-6-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
SpectraBase Compound ID AwNX7HIrdhU
InChI InChI=1S/C24H25ClO6/c1-11(26)8-12(2)31-17-10-13(25)9-16-18(17)24(30-3)20-19(23(16)29)21(27)14-6-4-5-7-15(14)22(20)28/h4-7,11-13,17,26,29H,8-10H2,1-3H3/t11-,12-,13-,17-/m1/s1
InChIKey XYXXOGPZNGTLBE-HPTBWKMGSA-N
Mol Weight 444.91 g/mol
Molecular Formula C24H25ClO6
Exact Mass 444.133966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81ktmYbiogq
Name [7R-(7a,9a)]-9-chloro-11-hydroxy-7-[(1'R,3'R)-3'-hydroxy-1'-methylbutoxy]-6-methoxy-7,8,9,10-tetrahydronaphthacene-5,12-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25ClO6
InChI InChI=1S/C24H25ClO6/c1-11(26)8-12(2)31-17-10-13(25)9-16-18(17)24(30-3)20-19(23(16)29)21(27)14-6-4-5-7-15(14)22(20)28/h4-7,11-13,17,26,29H,8-10H2,1-3H3/t11-,12-,13-,17-/m1/s1
InChIKey XYXXOGPZNGTLBE-HPTBWKMGSA-N
Molecular Weight 444.911 g/mol
SMILES Oc1c2c([C@](O[C@@](C[C@](O)(C)[H])(C)[H])(C[C@@](C2)(Cl)[H])[H])c(c2c1C(c1c(C2=O)cccc1)=O)OC
SPLASH splash10-03di-0000900000-f30c2959f80ae94fec28
Source of Spectrum B-47-1295-0
Synonyms (7R,9R)-9-Chloro-11-hydroxy-7-((1R,3R)-3-hydroxy-1-methyl-butoxy)-6-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione (7R,9R)-9-chloro-11-hydroxy-7-{[(1R,3R)-3-hydroxy-1-methylbutyl]oxy}-6-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione
Wiley ID 1385968