Methyl (4Ar,4Bs,6As,7S,7As,8As,8Bs,8Cr,9R)-4A,6A-Dimethyl-2,5'-Dioxo-2,4,4',4A,4B,5,5',6,6A,7A,8,8A,8B,8C,9,10-Hexadecahydro-3H,3'H-Spiro[Cyclopropa[4,5]Cyclopenta[1,2-A]Phenanthrene-7,2'-Furan]-9-Carboxylate

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Formula C25H32O5
IUPAC Name methyl (4ar,4bs,6as,7s,7as,8as,8bs,8cr,9r)-4a,6a-dimethyl-2,5'-dioxo-2,4,4',4a,4b,5,5',6,6a,7a,8,8a,8b,8c,9,10-hexadecahydro-3h,3'h-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-carboxylate
Molecular Mass 412.519 g·mol−1
Heat of Formation -845.8 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 491.47 Å 3
Surface Area 378.95 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3'h-cyclopropa(15,16)pregna-4,15-diene-7,21-dicarboxylic acid, 15,16-dihydro-17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,15alpha,16alpha,17alpha)-
  • 7alpha-methoxycarbonyl-15beta,16beta-methylene-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
  • sh-d515
  • zk 91587
  • zk-91587
CAS Number(s)
  • 84542-26-7
InChIKey YDIQJONNFLVNGD-FPMRONRSSA-N
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