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Substance Name: 11,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene
RN: 134513-15-8
InChIKey: DNJYQSYRCGUZKV-JEKDLXOTSA-N

Molecular Formula

  • C34-H38-Br2-O5

Molecular Weight

  • 686.4772
 
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Names and Synonyms

Name of Substance

  • 11,17-Bis(4-bromobenzoyloxy)-9-hydroxybeyerene

Synonyms

  • 11,17-BBBHB
  • 11beta,17-Bis(4-bromobenzoyloxy)-9beta-hydroxy-ent-beyerene

Systematic Name

  • 17-Norkaur-15-ene-7,9-diol, 13-(((4-bromobenzoyl)oxy)methyl)-, 7-(4-bromobenzoate), (7beta,8beta,13beta)-

Registry Numbers

CAS Registry Number

  • 134513-15-8

System Generated Number

  • 0134513158

Structure Descriptors

InChI

1S/C34H38Br2O5/c1-30(2)13-4-14-31(3)26(30)19-27(41-29(38)23-7-11-25(36)12-8-23)33-17-15-32(20-33,16-18-34(31,33)39)21-40-28(37)22-5-9-24(35)10-6-22/h5-12,15,17,26-27,39H,4,13-14,16,18-21H2,1-3H3/t26-,27+,31-,32+,33?,34-/m1/s1

InChIKey

DNJYQSYRCGUZKV-JEKDLXOTSA-N

Smiles

C[C@@]12CCCC([C@H]1C[C@@H](C34[C@]2(CC[C@](C3)(C=C4)COC(=O)c5ccc(cc5)Br)O)OC(=O)c6ccc(cc6)Br)(C)C