(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

CAS Registry Number®

16196-70-6
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CAS Name

(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

Molecular Formula

C27H39NO4

Molecular Mass

441.60

Cite this Page

(αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16196-70-6 (retrieved 2024-05-17) (CAS RN: 16196-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18-,19-,22-,24+,25-,26+,27-/m1/s1

InChIKey

InChIKey=KNDFXYGKWIQXNP-VFERFCJDSA-N

SMILES

O(C)[C@@]12[C@]3([C@@]45[C@@]([C@@](CC6=C4C(O3)=C(OC)C=C6)(N(C)CC5)[H])(C[C@@]1([C@]([C@](C)(C)C)(C)O)[H])CC2)[H]

Canonical SMILES

OC(C)(C1CC23CCC1(OC)C4OC=5C(OC)=CC=C6C5C43CCN(C)C2C6)C(C)(C)C

Other Names for this Substance

  • 6,14-Ethenomorphinan-7-methanol, α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-, (αS,5α,7α)-
  • 6,14-endo-Ethanotetrahydrothebaine, 7α-(1-hydroxy-1,2,2-trimethylpropyl)-
  • 6,14-Ethenomorphinan-7-methanol, α-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-, [5α,7α(S)]-
  • (αS,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol
  • (αS,5α,7α)-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol

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