(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one

CAS Registry Number®

19913-01-0
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CAS Name

(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one

Molecular Formula

C20H20O5

Molecular Mass

340.37

Cite this Page

(2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19913-01-0 (retrieved 2024-05-17) (CAS RN: 19913-01-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20?/m1/s1

InChIKey

InChIKey=SXHVHWXETMBKPP-FJVKLXLLSA-N

SMILES

C[C@H]1[C@]23C(O[C@](C2)(C[C@@H]1C=4C=C5C(=CC4)OCO5)[H])=CC(=O)C(OC)=C3

Canonical SMILES

O=C1C=C2OC3CC(C4=CC=C5OCOC5=C4)C(C)C2(C=C1OC)C3

Other Names for this Substance

  • 8H-2,5a-Methano-1-benzoxepin-8-one, 4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-, (2S,4S,5R,5aS)-
  • 8H-2,5a-Methano-1-benzoxepin-8-one, 2,3,4,5-tetrahydro-7-methoxy-5-methyl-4-[3,4-(methylenedioxy)phenyl]-, (-)-
  • 8H-2,5a-Methano-1-benzoxepin-8-one, 4-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-, (2α,4α,5β,5aα)-(-)-
  • (2S,4S,5R,5aS)-4-(1,3-Benzodioxol-5-yl)-2,3,4,5-tetrahydro-7-methoxy-5-methyl-8H-2,5a-methano-1-benzoxepin-8-one
  • Futoenone

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