(4As,4Br,10Bs,12As)-8-Hydroxy-12A-Methyl-3,4,4A,4B,5,6,10B,11,12,12A-Decahydro-2H-Naphtho[2,1-F]Chromen-2-One

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (4as,4br,10bs,12as)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3h-naphtho[2,1-f]chromen-2-one
Molecular Mass 286.365 g·mol−1
Heat of Formation -576.4 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 346.16 Å 3
Surface Area 293.11 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,4br,10bs,12as)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3h-naphtho[2,1-f]chromen-2-one
  • 13,17-secoestra-1,3,5(10)-trien-17-oic acid, 3,13.alpha.-dihydroxy-, .delta.-lactone
  • 17a-oxa-d-homoestra-1,3,5(10)-trien-17-one, 3-hydroxy-
  • 3-hydroxy-d-homo-17a-oxaestra-1,3,5(10)-trien-17-one
  • estrololactone
CAS Number(s)
  • 604-82-0
InChIKey FWJIMKYKNBCAJA-CBZIJGRNSA-N
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