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beta-Rhodomycinone
[CAS# 5012-65-7]

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CAS#: 5012-65-7
Product: beta-Rhodomycinone
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Identification
Name beta-Rhodomycinone
Synonyms (7S,9R,10R)-9-Ethyl-4,6,7,9,10,11-Hexahydroxy-8,10-Dihydro-7H-Tetracene-5,12-Quinone; Beta-Rhodomycinone; 5,12-Naphthacenedione, 8-Ethyl-7,8,9,10-Tetrahydro-1,6,7,8,10,11-Hexahydroxy-, (7R-(7Alpha,8Beta,10Beta))-
Molecular Structure CAS#: 5012-65-7, beta-Rhodomycinone
Molecular Formula C20H18O8
Molecular Weight 386.36
CAS Registry Number 5012-65-7
SMILES [C@H]4(C3=C(C2=C(C(C1=C(C(=CC=C1)O)C2=O)=O)C(=C3[C@H]([C@@](C4)(O)CC)O)O)O)O
InChI 1S/C20H18O8/c1-2-20(28)6-9(22)11-14(19(20)27)18(26)12-13(17(11)25)16(24)10-7(15(12)23)4-3-5-8(10)21/h3-5,9,19,21-22,25-28H,2,6H2,1H3/t9-,19+,20+/m0/s1
InChIKey XGUMQVUWZOLAQN-RNFJLKLCSA-N
Properties
Density 1.693g/cm3 (Cal.)
Boiling point 576.965°C at 760 mmHg (Cal.)
Flash point 316.781°C (Cal.)
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