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Substance Name: Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(alpha-methyl-4-(2-methylpropyl)benzeneacetate)
RN: 71381-97-0
InChIKey: ZQXOQQOPUNNGCN-UHFFFAOYSA-N

Molecular Weight

  • 652.823
 
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Names and Synonyms

  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(alpha-methyl-4-(2-methylpropyl)benzeneacetate)

Registry Numbers

CAS Registry Number

  • 71381-97-0

System Generated Number

  • 0071381970

Structure Descriptors

InChI

1S/C41H48O7/c1-24(2)17-29-13-15-32(16-14-29)28(7)37(43)45-23-31-19-33-36-39(25(3)4)20-27(6)41(33,34-18-26(5)35(42)38(34,44)21-31)48-40(46-36,47-39)22-30-11-9-8-10-12-30/h8-16,18-19,24,27-28,33-34,36,44H,3,17,20-23H2,1-2,4-7H3

InChIKey

ZQXOQQOPUNNGCN-UHFFFAOYSA-N

Smiles

C=1[C@@H]2[C@@H]3O[C@@]4(Cc5ccccc5)O[C@@]2([C@@H]2[C@@](C(C(=C2)C)=O)(CC1COC([C@@H](c1ccc(cc1)CC(C)C)C)=O)O)[C@@H](C[C@@]3(C(=C)C)O4)C