(1S,2R,4As,4Br,6Ar,8R,10As,10Bs,12As)-2,10A,12A-Trimethyloctadecahydro-1,8-Chrysenediol

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Formula C21H36O2
IUPAC Name (1s,2r,4as,4br,6ar,8r,10as,10bs,12as)-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysene-1,8-diol
Molecular Mass 320.509 g·mol−1
Heat of Formation -692.3 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 422.1 Å 3
Surface Area 328.36 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,4br,6ar,8r,10as,10bs,12as)-2,10a,12a-trimethyl-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-hexadecahydrochrysene-1,8-diol
  • 17-methyl-d-homoandrostane-3,17-diol
  • 17alpha-methyl-d-homo-5beta-androstane-3alpha,17abeta-diol
  • d-homoandrostane-3,17a-diol, 17-methyl-, (3alpha,5beta,17alpha,17abeta)-
CAS Number(s)
  • 76612-30-1
InChIKey HUPSBBUECCCNKS-YAWPOEEYSA-N
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