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Substance Name: Thermorubin B
RN: 178924-89-5
UNII: FN1BY86W8U
InChIKey: FZUXCVFGNIBIRI-STZFKDTASA-N

Molecular Weight

  • 614.5564
 
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Names and Synonyms

Name of Substance

  • Thermorubin B

Synonyms

  • 1H-Anthra(2,3-c)pyran-8-acetic acid, 9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl)-10,11,12-trimethoxy-3-(methoxycarbonyl)-1-oxo-, methyl ester
  • UNII-FN1BY86W8U

Registry Numbers

CAS Registry Number

  • 178924-89-5

FDA UNII

  • FN1BY86W8U

System Generated Number

  • 0178924895

Structure Descriptors

InChI

1S/C33H26O12/c1-41-29-25(22(36)14-21(35)19-7-5-6-8-20(19)34)18(13-24(37)38)11-16-9-15-10-17-12-23(32(39)44-4)45-33(40)28(17)31(43-3)27(15)30(42-2)26(16)29/h5-12,14,34-35H,13H2,1-4H3,(H,37,38)/b21-14-

InChIKey

FZUXCVFGNIBIRI-STZFKDTASA-N

Smiles

COc1c2c(cc3c1c(c(c(c3)CC(=O)O)C(=O)/C=C(/c4ccccc4O)\O)OC)cc5cc(oc(=O)c5c2OC)C(=O)OC