Neotriptophenolide

CAS Registry Number®

81827-74-9
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CAS Name

Neotriptophenolide

Molecular Formula

C21H26O4

Molecular Mass

342.43

Cite this Page

Neotriptophenolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81827-74-9 (retrieved 2024-05-12) (CAS RN: 81827-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-191 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26O4/c1-11(2)14-9-17(22)18-13(19(14)24-4)5-6-16-15-10-25-20(23)12(15)7-8-21(16,18)3/h9,11,16,22H,5-8,10H2,1-4H3/t16-,21-/m0/s1

InChIKey

InChIKey=YQHBJMHUMJXFDN-KKSFZXQISA-N

SMILES

C[C@@]12C=3C(=C(OC)C(C(C)C)=CC3O)CC[C@]1(C4=C(CC2)C(=O)OC4)[H]

Canonical SMILES

O=C1OCC2=C1CCC3(C4=C(O)C=C(C(OC)=C4CCC23)C(C)C)C

Other Names for this Substance

  • Phenanthro[1,2-c]furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR,9bS)-
  • Phenanthro[1,2-c]furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-
  • (3bR,9bS)-3b,4,5,9b,10,11-Hexahydro-9-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)phenanthro[1,2-c]furan-1(3H)-one
  • Neotriptophenolide

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