J 956

CAS Registry Number®

222732-94-7
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CAS Name

J 956

Molecular Formula

C31H40N2O5

Molecular Mass

520.66

Cite this Page

J 956.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=222732-94-7 (retrieved 2024-03-29) (CAS RN: 222732-94-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H40N2O5/c1-5-32-29(35)38-33-18-20-6-8-21(9-7-20)26-17-30(2)27(14-15-31(30,37-4)19-36-3)25-12-10-22-16-23(34)11-13-24(22)28(25)26/h6-9,16,18,25-27H,5,10-15,17,19H2,1-4H3,(H,32,35)/b33-18+/t25-,26+,27-,30-,31+/m0/s1

InChIKey

InChIKey=XMCOWVOJIVSMEO-RCCUTSCYSA-N

SMILES

C[C@@]12[C@]([C@]3(C([C@H](C1)C4=CC=C(/C=N/OC(NCC)=O)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@]2(COC)OC)[H]

Canonical SMILES

O=C(ON=CC1=CC=C(C=C1)C2C3=C4C(=CC(=O)CC4)CCC3C5CCC(OC)(COC)C5(C)C2)NCC

Other Names for this Substance

  • Benzaldehyde, 4-[(11β,17β)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]-, 1-[O-[(ethylamino)carbonyl]oxime], [C(E)]-
  • J 956
  • Asoprisnil ecamate

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