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Substance Name: Rubellin B
RN: 102349-31-5
UNII: 88B20HYO95
InChIKey: KHJHNXVDMFGVEP-PJQIVZKYSA-N

Molecular Formula

  • C30-H22-O10

Molecular Weight

  • 542.4938
 
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Names and Synonyms

Name of Substance

  • Rubellin B

Synonyms

  • Benzo(E)naphtho(2',3':5,6)fluoreno(1,9a-b)oxepin-5,10,19(15H)-trione, 5c,8,8a,16-tetrahydro-1,4,8,11,15,18-hexahydroxy-13-methyl-, (5calpha,8beta,8aalpha,15alpha,15as*)-(+)-
  • Benzo(E)naphtho(2',3':5,6)fluoreno(1,9a-b)oxepin-5,10,19(15H)-trione, 5c,8,8a,16-tetrahydro-1,4,8,11,15,18-hexahydroxy-13-methyl-, (5cr,8R,8aS,15S,15aS)-rel-(+)-
  • Rubellin B
  • Rubellin B, (+)-
  • UNII-88B20HYO95

Registry Numbers

CAS Registry Number

  • 102349-31-5

FDA UNII

  • 88B20HYO95

System Generated Number

  • 0102349315

Structure Descriptors

InChI

1S/C30H22O10/c1-10-6-12-20(17(34)7-10)29(39)40-28-16(33)3-2-13-19-11(9-30(13,28)27(12)38)8-18(35)23-24(19)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

KHJHNXVDMFGVEP-PJQIVZKYSA-N

Smiles

Cc1cc(O)c2C(=O)O[C@@H]3[C@H](O)C=C[C@@H]4c5c(C[C@]34[C@@H](O)c2c1)cc(O)c6C(=O)c7c(O)ccc(O)c7C(=O)c56