Neopetasitenine

CAS Registry Number®

60409-51-0

CAS Name

Neopetasitenine

Molecular Formula

C21H29NO8

Molecular Mass

423.46

Cite this Page

Neopetasitenine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60409-51-0 (retrieved 2024-11-22) (CAS RN: 60409-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/t12-,13-,16-,20-,21-/m1/s1

InChIKey

InChIKey=RNNVXCSFOWGBQP-XWYRRVJTSA-N

SMILES

C[C@@H]1[C@]2(O1)C[C@@H](C)[C@](OC(C)=O)(C)C(=O)OCC=3C(=O)[C@](OC2=O)(CCN(C)CC3)[H]

Canonical SMILES

O=C(OC1(C(=O)OCC2=CCN(C)CCC(OC(=O)C3(OC3C)CC1C)C2=O)C)C

Other Names for this Substance

  • Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione, 7-(acetyloxy)-3′,6,7,14-tetramethyl-, (1R,2′R,3′R,6R,7R)-
  • 4,8-Secosenecionan-8,11,16-trione, 12-(acetyloxy)-15,20-epoxy-15,20-dihydro-4-methyl-, (15β,20R)-
  • (1R,2′R,3′R,6R,7R)-7-(Acetyloxy)-3′,6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2′-oxirane]-3,8,17-trione
  • Neopetasitenine
  • Neopetasitenine (neutral)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration