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Substance Name: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(3-chloro-4-(2-propenyloxy)benzeneacetate)
RN: 71381-96-9
InChIKey: YJCMFDKYBICPME-UHFFFAOYSA-N

Molecular Weight

  • 673.198
 
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Names and Synonyms

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(3-chloro-4-(2-propenyloxy)benzeneacetate)

Registry Numbers

CAS Registry Number

  • 71381-96-9

System Generated Number

  • 0071381969

Structure Descriptors

InChI

1S/C39H41ClO8/c1-6-14-44-31-13-12-27(17-30(31)40)18-33(41)45-22-28-16-29-35-37(23(2)3)19-25(5)39(29,32-15-24(4)34(42)36(32,43)20-28)48-38(46-35,47-37)21-26-10-8-7-9-11-26/h6-13,15-17,25,29,32,35,43H,1-2,14,18-22H2,3-5H3

InChIKey

YJCMFDKYBICPME-UHFFFAOYSA-N

Smiles

C1[C@@H]([C@@]23O[C@@]4(Cc5ccccc5)O[C@@H]([C@@]1(C(=C)C)O4)[C@@H]3C=C(COC(Cc1ccc(c(c1)Cl)OCC=C)=O)C[C@@]1(O)[C@@H]2C=C(C1=O)C)C