(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 (2Z)-2-methyl-2-butenoate

CAS Registry Number®

181701-07-5

CAS Name

(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 (2Z)-2-methyl-2-butenoate

Molecular Formula

C27H30O9

Molecular Mass

498.52

Cite this Page

(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 (2Z)-2-methyl-2-butenoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=181701-07-5 (retrieved 2024-11-24) (CAS RN: 181701-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    96-98.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3

InChIKey

InChIKey=KIOQRWNZGHZFHB-UHFFFAOYSA-N

SMILES

O(C)C1=C2C=3C(=CC4=C(C3OC)OCO4)CC(C)C(C)(O)C(OC(C(=CC)C)=O)C2=CC5=C1OCO5

Canonical SMILES

O=C(OC1C2=CC=3OCOC3C(OC)=C2C=4C(OC)=C5OCOC5=CC4CC(C)C1(O)C)C(=CC)C

Other Names for this Substance

  • 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
  • (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 (2Z)-2-methyl-2-butenoate
  • Interiotherin B
  • (+)-Interiotherin B

CAS INSIGHTSTM
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