[(2S,3aR,3bS,6aR,9aR,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 4-hydroxy-3-iodo-5-methoxybenzeneacetate

CAS Registry Number®

535974-91-5

CAS Name

[(2S,3aR,3bS,6aR,9aR,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 4-hydroxy-3-iodo-5-methoxybenzeneacetate

Molecular Formula

C37H39IO9

Molecular Mass

754.60

Cite this Page

[(2S,3aR,3bS,6aR,9aR,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 4-hydroxy-3-iodo-5-methoxybenzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=535974-91-5 (retrieved 2024-11-23) (CAS RN: 535974-91-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1

InChIKey

InChIKey=TZUJORCXGLGWDV-DZBJMWFRSA-N

SMILES

C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)(C1)O[C@](CC5=CC=CC=C5)(O2)O4)[H])(C=C(COC(CC6=CC(OC)=C(O)C(I)=C6)=O)C[C@@]7(O)[C@]3(C=C(C)C7=O)[H])[H]

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(I)=C(O)C(OC)=C7

Other Names for this Substance

  • Benzeneacetic acid, 4-hydroxy-3-iodo-5-methoxy-, [(2S,3aR,3bS,6aR,9aR,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
  • [(2S,3aR,3bS,6aR,9aR,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 4-hydroxy-3-iodo-5-methoxybenzeneacetate
  • 5-Iodoresiniferatoxin

CAS INSIGHTSTM
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