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

CAS Registry Number®

16614-59-8
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CAS Name

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

Molecular Formula

C26H37NO4

Molecular Mass

427.58

Cite this Page

S,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16614-59-8 (retrieved 2024-05-06) (CAS RN: 16614-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H37NO4/c1-22(2,3)23(4,28)17-14-24-9-10-26(17,30-6)21-25(24)11-12-27-18(24)13-15-7-8-16(29-5)20(31-21)19(15)25/h7-8,17-18,21,27-28H,9-14H2,1-6H3/t17-,18-,21-,23+,24-,25+,26-/m1/s1

InChIKey

InChIKey=GUFHEIAUPRGDNQ-NISPYUBJSA-N

SMILES

O(C)[C@@]12[C@]3([C@@]45[C@@]([C@@](CC6=C4C(O3)=C(OC)C=C6)(NCC5)[H])(C[C@@]1([C@](C(C)(C)C)(C)O)[H])CC2)[H]

Canonical SMILES

OC(C)(C1CC23CCC1(OC)C4OC=5C(OC)=CC=C6C5C43CCNC2C6)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-methyl-, (αS,5α,7α)-
  • 6,14-endo-Ethanotetrahydrothebaine, 17-demethyl-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-methyl-, [5α,7α(S)]-
  • S,5α,7α)-α-(1,1-Dimethylethyl)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α-methyl-6,14-ethenomorphinan-7-methanol
  • 3-O-Methylnorbuprenorphine

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