Stypotriol

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Formula C27H40O4
IUPAC Name (2s,4as,4br,7s,8s,8ar,10ar)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3h-benzofuran]-2,4',5'-triol
Molecular Mass 428.604 g·mol−1
Heat of Formation -913.6 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 536.76 Å 3
Surface Area 399.71 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,4br,7s,8s,8ar,10ar)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3h-1-benzofuran]-2,4',5'-triol
  • (2s,4as,4br,7s,8s,8ar,10ar)-1,1,4a,7,7',8a-hexamethylspiro[2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-8,2'-3h-benzofuran]-2,4',5'-triol
InChIKey HJSZCMVJNUBOQM-JZFVXYNCSA-N
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