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Substance Name: Tutin monoacetate
RN: 27556-19-0
InChIKey: PRDJFYAVPHQGCW-GMGMOSFJSA-N

Note

  • Neurotoxin found in Coriaria shrubs; hyenanchin is the hydroxy derivative.

Molecular Formula

  • C17-H20-O7

Molecular Weight

  • 354.3528
 
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Names and Synonyms

Name of Substance

  • Tutin monoacetate

Synonym

  • Tutin monoacetate

Systematic Name

  • Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-d)oxepin-7,2'-oxiran)-3(2ah)-one, 1a-beta,1b,5a,6,6a,7a-beta-hexahydro-1b-alpha,6-beta-dihydroxy-8a-isopropenyl-6a-alpha-methyl-, monoacetate

Registry Numbers

CAS Registry Number

  • 27556-19-0

System Generated Number

  • 0027556190

Structure Descriptors

InChI

1S/C15H18O6.C2H4O2/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18;1-2(3)4/h6-11,16,18H,1,4H2,2-3H3;1H3,(H,3,4)/t6?,7-,8-,9-,10-,11+,13?,14-,15+;/m1./s1

InChIKey

PRDJFYAVPHQGCW-GMGMOSFJSA-N

Smiles

CC(=C)C1[C@@H]2[C@H](C3([C@@]4(CO4)[C@H]5[C@@H]([C@]3([C@H]1C(=O)O2)O)O5)C)O.CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 729, 1968.