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Substance Name: Rubellin D
RN: 121325-49-3
UNII: 5472451653
InChIKey: PPESFXQGSSHUFR-WVZQVMSVSA-N

Molecular Formula

  • C30-H22-O10

Molecular Weight

  • 542.4938
 
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Names and Synonyms

Name of Substance

  • Rubellin D

Synonyms

  • (+)-Rubellin D
  • 5H-Indeno(1,2-a)anthracene-5,13(8H)-dione, 8a-((1R)-1,3-dihydro-4-hydroxy-6-methyl-3-oxo-1-isobenzofuranyl)-8a,9,10,12a-tetrahydro-1,4,6,9,10-pentahydroxy-, (8aS,9R,10S,12aS)-rel-(+)-
  • Rubellin D
  • Rubellin D, (+)-
  • UNII-5472451653

Registry Numbers

CAS Registry Number

  • 121325-49-3

FDA UNII

  • 5472451653

System Generated Number

  • 0121325493

Structure Descriptors

InChI

1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28(12)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)27(30)38)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38H,9H2,1H3/t13-,16-,27-,28+,30-/m1/s1

InChIKey

PPESFXQGSSHUFR-WVZQVMSVSA-N

Smiles

Cc1cc(O)c2C(=O)O[C@@H](c2c1)[C@]34Cc5cc(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c6c5[C@H]3C=C[C@@H](O)[C@H]4O