(2R,4Br,6As,12Bs,12Cr,14Ar)-4B-Hydroxy-2-(2-Hydroxy-2-Propanyl)-12B,12C-Dimethyl-5,6,6A,7,12,12B,12C,13,14,14A-Decahydro-2H-Chromeno[5',6':6,7]Indeno[1,2-B]Indol-3(4Bh)-One

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Formula C27H33NO4
IUPAC Name (2r,4br,6as,12bs,12cr,14ar)-4b-hydroxy-2-(2-hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bh)-one
Molecular Mass 435.555 g·mol−1
Heat of Formation -576.9 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 515.61 Å 3
Surface Area 401.56 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • tocris-2006
InChIKey ACNHBCIZLNNLRS-KWSNMMCTSA-N
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