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Substance Name: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-bromobenzoate)
RN: 71381-94-7
InChIKey: SWUNYAGOWDOTHZ-UHFFFAOYSA-N

Molecular Weight

  • 647.558
 
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Names and Synonyms

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-bromobenzoate)

Registry Numbers

CAS Registry Number

  • 71381-94-7

System Generated Number

  • 0071381947

Structure Descriptors

InChI

1S/C35H35BrO7/c1-20(2)33-16-22(4)35-27(30(33)41-34(42-33,43-35)18-23-8-6-5-7-9-23)15-24(17-32(39)28(35)14-21(3)29(32)37)19-40-31(38)25-10-12-26(36)13-11-25/h5-15,22,27-28,30,39H,1,16-19H2,2-4H3

InChIKey

SWUNYAGOWDOTHZ-UHFFFAOYSA-N

Smiles

C=1[C@@H]2[C@@H]3O[C@@]4(O[C@@]3(C(C)=C)C[C@@H](C)[C@@]2([C@@H]2[C@@](C(C(=C2)C)=O)(CC1COC(c1ccc(cc1)Br)=O)O)O4)Cc1ccccc1