(3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one

CAS Registry Number®

1086409-82-6

CAS Name

(3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one

Molecular Formula

C15H23NO5

Molecular Mass

297.35

Cite this Page

(3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1086409-82-6 (retrieved 2024-11-28) (CAS RN: 1086409-82-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-167 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H23NO5/c1-8-4-5-11-9(2)12(17)16(18)13-15(11)10(8)6-7-14(3,19-13)20-21-15/h8-11,13,18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

InChIKey

InChIKey=CIMKGYLLDNUUNG-NNWCWBAJSA-N

SMILES

ON1[C@]2([C@]34[C@]([C@@H](C)C1=O)(CC[C@@H](C)[C@@]3(CC[C@](C)(O2)OO4)[H])[H])[H]

Canonical SMILES

O=C1N(O)C2OC3(OOC24C(CCC(C)C4CC3)C1C)C

Other Names for this Substance

  • 3,12-Epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one, decahydro-11-hydroxy-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12R,12aR)-
  • (3R,5aS,6R,8aS,9R,12R,12aR)-Decahydro-11-hydroxy-3,6,9-trimethyl-3,12-epoxy-1,2-dioxepino[4,3-i]isoquinolin-10(3H)-one

CAS INSIGHTSTM
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