Dicirenone

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Properties Simple | Detailed

Formula C26H36O5
IUPAC Name isopropyl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylate
Molecular Mass 428.561 g·mol−1
Heat of Formation -1071.6 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 530.99 Å 3
Surface Area 390.73 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-7-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]carboxylic acid isopropyl ester
  • (7r,8r,9s,10r,13s,14s,17r)-3,5'-diketo-10,13-dimethyl-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylic acid isopropyl ester
  • d03792
  • dicirenone (usan)
  • isopropyl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-7-carboxylate
  • propan-2-yl (7r,8r,9s,10r,13s,14s,17r)-10,13-dimethyl-3,5'-dioxo-spiro[2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
InChIKey WUVPAYPBMZMHJO-IMNLCBETSA-N
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