(1R,4As,4Br,6As,10As,10Br,12S,12As)-12-Hydroxy-4B,7,7,10A,12A-Pentamethyl-1,4,4A,4B,5,6,6A,7,8,9,10,10A,10B,11,12,12A-Hexadecahydro-1,2-Chrysenedicarbaldehyde

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Properties Simple | Detailed

Formula C25H38O3
IUPAC Name (1r,4as,4br,6as,10as,10br,12s,12as)-12-hydroxy-4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarbaldehyde
Molecular Mass 386.567 g·mol−1
Heat of Formation -636.5 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 489.51 Å 3
Surface Area 364.77 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,4br,6as,10as,10br,12s,12as)-12-hydroxy-4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarbaldehyde
  • (1r,4as,4br,6as,10as,10br,12s,12as)-12-hydroxy-4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarboxaldehyde
  • d-homoandrost-16-ene-17,17a-dicarboxaldehyde, 12-hydroxy-4,4,8-trimethyl-, (5alpha,12alpha,17abeta)-
  • desacetylscalaradial
CAS Number(s)
  • 77282-60-1
InChIKey RZKMKRDUWZVLSO-MQHLBGOHSA-N
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