(3S,3As,3Br,4R,6As)-3,4-Dihydroxy-3-(Hydroxymethyl)-3A,5,5-Trimethyl-3,3A,3B,4,5,6,6A,7-Octahydro-2H-Cyclopenta[A]Pentalen-2-One

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Formula C15H22O4
IUPAC Name (3s,3as,3br,4r,6as)-3,4-dihydroxy-3-(hydroxymethyl)-3a,5,5-trimethyl-4,6,6a,7-tetrahydro-3bh-cyclopenta[a]pentalen-2-one
Molecular Mass 266.333 g·mol−1
Heat of Formation -753.1 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 325.27 Å 3
Surface Area 264.49 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,3ar,3bs,4s,7as)-3,4-dihydroxy-2,2,3b-trimethyl-4-methylol-3,3a,7,7a-tetrahydro-1h-cyclopenta[f]pentalen-5-one
  • (3r,3ar,3bs,4s,7as)-3,4-dihydroxy-4-(hydroxymethyl)-2,2,3b-trimethyl-3,3a,7,7a-tetrahydro-1h-cyclopenta[f]pentalen-5-one
InChIKey BWDRVAKXNVFADI-VOUTZNEASA-N
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