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2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-

Base Information
  • Chemical Name:2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-
  • CAS No.:181701-07-5
  • Molecular Formula:C27H30O9
  • Molecular Weight:498.5217
  • Hs Code.:
2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-

Synonyms:181701-07-5;( )-Interiotherin B;(+)-Interiotherin B;2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-;2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, stereoisomer

Suppliers and Price of 2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-
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Chemical Property of 2-Butenoic acid, 2-methyl-, (5S,6S,7S,13aS)-5,6,7,8-tetrahydro-6-hydroxy-13,14-dimethoxy-6,7-dimethylcycloocta(1,2-f:3,4-f')bis(1,3)benzodioxol-5-yl ester, (2Z)-
Chemical Property:
  • Boiling Point:636.6°Cat760mmHg 
  • Flash Point:210.4°C 
  • PSA:101.91000 
  • Density:1.36g/cm3 
  • LogP:4.32190 
  • XLogP3:4.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Rotatable Bond Count:5
  • Exact Mass:498.18898253
  • Heavy Atom Count:36
  • Complexity:847
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC=C(C)C(=O)OC1C2=CC3=C(C(=C2C4=C(C5=C(C=C4CC(C1(C)O)C)OCO5)OC)OC)OCO3
  • Isomeric SMILES:C/C=C(\C)/C(=O)OC1C2=CC3=C(C(=C2C4=C(C5=C(C=C4CC(C1(C)O)C)OCO5)OC)OC)OCO3
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