(13S,14S,17R)-17-(3-Hydroxypropyl)-13-Methyl-12,13,14,15,16,17-Hexahydro-11H-Cyclopenta[A]Phenanthrene-3,17-Diol

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (13s,14s,17r)-17-(3-hydroxypropyl)-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 326.429 g·mol−1
Heat of Formation -530.4 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 403.88 Å 3
Surface Area 340.56 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,14s,17r)-17-(3-hydroxypropyl)-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthrene-3,17-diol
  • 17-(3'-hydroxypropyl)-1,3,5,6,8(9)-estrapentaene-3,17-diol
  • ohpeped
CAS Number(s)
  • 93239-10-2
InChIKey QDSQCMLGDJWGCT-ACRUOGEOSA-N
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