(3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11a-Hexahydro-3,3,6,9,11a-pentamethyl-1H-dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione

CAS Registry Number®

58298-76-3

CAS Name

(3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11a-Hexahydro-3,3,6,9,11a-pentamethyl-1H-dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione

Molecular Formula

C20H26O3

Molecular Mass

314.42

Cite this Page

(3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11a-Hexahydro-3,3,6,9,11a-pentamethyl-1H-dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58298-76-3 (retrieved 2025-01-30) (CAS RN: 58298-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.13 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O3/c1-11-6-13-8-12(2)15(21)9-16-19(3,4)10-17(22)20(16,5)18(23)14(13)7-11/h6,8,11,14,16H,7,9-10H2,1-5H3/b12-8-/t11-,14-,16+,20-/m0/s1

InChIKey

InChIKey=TYBGBKQPLBAYQG-CJIMKZOCSA-N

SMILES

C[C@]12[C@@](C(C)(C)CC1=O)(CC(=O)\C(\C)=C/C=3[C@@](C2=O)(C[C@@H](C)C3)[H])[H]

Canonical SMILES

O=C1C(=CC2=CC(C)CC2C(=O)C3(C(=O)CC(C)(C)C3C1)C)C

Other Names for this Substance

  • 1H-Dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione, 2,3,3a,10,10a,11a-hexahydro-3,3,6,9,11a-pentamethyl-, (3aR,6Z,9R,10aS,11aS)-
  • 1H-Dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione, 2,3,3a,10,10a,11a-hexahydro-3,3,6,9,11a-pentamethyl-, [3aR-(3aR*,6Z,9R*,10aS*,11aS*)]-
  • (3aR,6Z,9R,10aS,11aS)-2,3,3a,10,10a,11a-Hexahydro-3,3,6,9,11a-pentamethyl-1H-dicyclopenta[a,d]cyclononene-1,5,11(4H,9H)-trione
  • Jatrophatrione
  • NSC 254668