Tinyatoxin

CAS Registry Number®

58821-95-7

CAS Name

Tinyatoxin

Molecular Formula

C36H38O8

Molecular Mass

598.68

Cite this Page

Tinyatoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58821-95-7 (retrieved 2024-11-22) (CAS RN: 58821-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WWZMXEIBZCEIFB-UHFFFAOYSA-N

SMILES

CC1C23C(C4C(C(C)=C)(C1)OC(CC5=CC=CC=C5)(O2)O4)C=C(COC(CC6=CC=C(O)C=C6)=O)CC7(O)C3C=C(C)C7=O

Canonical SMILES

O=C(OCC1=CC2C3OC4(OC3(C(=C)C)CC(C)C2(O4)C5C=C(C(=O)C5(O)C1)C)CC=6C=CC=CC6)CC7=CC=C(O)C=C7

Other Names for this Substance

  • Benzeneacetic acid, 4-hydroxy-, [(2S,3aR,3bS,6aR,9aS,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester
  • Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-hydroxybenzeneacetate)
  • 7H-2,9b-Epoxyazuleno[5,4-e]-1,3-benzodioxole, daphnetoxin deriv.
  • Tinyatoxin
  • Benzeneacetic acid, 4-hydroxy-, [3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester, [2S-(2α,3aβ,3bβ,6aβ,9aα,9bα,10α,11aβ)]-

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