(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-13,15,22,24-Tetrahydroxy-5-Methoxy-14,16-Dimethyl-2-Azabicyclo[18.3.1]Tetracosa-1(24),6,8,10,16,20,22-Heptaen-3-One

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Properties Simple | Detailed

Formula C26H35NO6
IUPAC Name (4z,6r,7s,8s,10z,12z,14z,16r)-6,8,22,24-tetrahydroxy-16-methoxy-5,7-dimethyl-19-azabicyclo[18.3.1]tetracosa-1(23),4,10,12,14,20(24),21-heptaen-18-one
Molecular Mass 457.559 g·mol−1
Heat of Formation -983.2 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 566.05 Å 3
Surface Area 429.14 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 20,23-didehydro-20,23-dideoxo-20,23-dihydroxyansatrienol a
  • ansatrienol a, 20,23-didehydro-20,23-dideoxo-20,23-dihydroxy-
  • mycotrienol ii
CAS Number(s)
  • 84906-73-0
InChIKey WXMPIECSLUKADI-UEHQEYCJSA-N
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