beta-Rhodomycinone structure

beta-Rhodomycinone

(7S,9R,10R)-9-ethyl-4,6,7,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: beta-Rhodomycinone|(7S,9R,10R)-9-ethyl-4,6,7,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,10,11-hexahydroxy-, (7R-(7alpha,8beta,10beta))-|7,8,9,10-Tetrahydro-8beta-ethyl-1,6,7beta,8,10alpha,11-hexahydroxynaphthacene-5,12-dione|(7R)-8-Ethyl-7,8,9,10-tetrahydro-1,6,7,8alpha,10alpha,11-hexahydroxy-5,12-naphthacenedione|(7R,8R,10S)-8-ETHYL-1,6,7,8,10,11-HEXAHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE|(7R,8R,10S)-8-Ethyl-1,6,7,8,10,11-hexahydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,10,11-hexahydroxy-, (7R,8R,10S)-|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,10,11-hexahydroxy-, [7R-(7.alpha.,8.beta.,10.beta.)]-|5,12-Naphthacenedione,8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,10,11-hexahydroxy-,(7R-(7alpha,8beta,10beta))

CAS: 5012-65-7
Molecular Formula C20H18O8
Molecular Weight 386.10016 g/mol
LogP 1.4
Topological Polar Surface Area 156.0 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
Rotatable Bonds 1
Exact Mass 386.10016
Monoisotopic Mass 386.10016
Heavy Atoms 28
Complexity 667.0

Chemical Identifiers

CAS Number 5012-65-7
SMILES CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O
InChIKey XGUMQVUWZOLAQN-RNFJLKLCSA-N

Product Overview

beta-Rhodomycinone (CAS 5012-65-7), with molecular formula C20H18O8 and molecular weight 386.10016 g/mol. IUPAC: (7S,9R,10R)-9-ethyl-4,6,7,9,10,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

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