(2S,3R,3aR,7R,7aS)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone

CAS Registry Number®

116424-70-5
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CAS Name

(2S,3R,3aR,7R,7aS)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone

Molecular Formula

C21H24O6

Molecular Mass

372.41

Cite this Page

(2S,3R,3aR,7R,7aS)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116424-70-5 (retrieved 2024-05-08) (CAS RN: 116424-70-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24O6/c1-5-6-14-15(22)10-18(23-3)21(24-4)12(2)19(27-20(14)21)13-7-8-16-17(9-13)26-11-25-16/h5,7-10,12,14,19-20H,1,6,11H2,2-4H3/t12-,14+,19+,20+,21+/m1/s1

InChIKey

InChIKey=COELSLLVNMRXHB-KILKQMEOSA-N

SMILES

O(C)[C@]12[C@]([C@@H](CC=C)C(=O)C=C1OC)(O[C@@H]([C@H]2C)C=3C=C4C(=CC3)OCO4)[H]

Canonical SMILES

O=C1C=C(OC)C2(OC)C(OC(C3=CC=C4OCOC4=C3)C2C)C1CC=C

Other Names for this Substance

  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-, (2S,3R,3aR,7R,7aS)-
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propenyl)-, [2S-(2α,3β,3aβ,7α,7aβ)]-
  • 6(2H)-Benzofuranone, 2-(1,3-benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propenyl)-, (2S,3R,3aR,7R,7aS)-
  • (2S,3R,3aR,7R,7aS)-2-(1,3-Benzodioxol-5-yl)-3,3a,7,7a-tetrahydro-3a,4-dimethoxy-3-methyl-7-(2-propen-1-yl)-6(2H)-benzofuranone
  • Fargesone B

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