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Substance Name: Tinyatoxin
RN: 58821-95-7
UNII: WN080Z1OL0
InChIKey: WWZMXEIBZCEIFB-ACAXUWNGSA-N

Molecular Formula

  • C36-H38-O8

Molecular Weight

  • 598.6882
 
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Names and Synonyms

Name of Substance

  • Tinyatoxin

Synonym

  • UNII-WN080Z1OL0

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58821-95-7

FDA UNII

  • WN080Z1OL0

System Generated Number

  • 0058821957

Structure Descriptors

InChI

1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35-,36-/m1/s1

InChIKey

WWZMXEIBZCEIFB-ACAXUWNGSA-N

Smiles

C[C@@H]1C[C@@]2(O[C@@]3(Cc4ccccc4)O[C@@H]2[C@@H]5C=C(COC(=O)Cc6ccc(O)cc6)C[C@@]7(O)[C@@H](C=C(C)C7=O)[C@@]15O3)C(=C)C