(5R,10S,10Ar,14As,15Bs)-10A-Hydroxy-7-Methoxy-2,2-Dimethyl-10-[(3-Methylbut-2-En-1-Yl)Oxy]-5-(2-Methylprop-1-En-1-Yl)-1,10,10A,14,14A,15B-Hexahydro-12H-3,4-Dioxa-5A,11A,15A-Triazacycloocta[1,2,3-Lm]Indeno[5,6-B]Fluorene-11,15(2H,13H)-Dione

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Properties Simple | Detailed

Formula C32H41N3O7
IUPAC Name fumitremorgin a
Molecular Mass 579.684 g·mol−1
Heat of Formation -848.1 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 688.08 Å 3
Surface Area 499.79 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-12h-3,4-dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2h,13h)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5r,10s,10ar,14as,15bs)-
  • 5h-12h-3,4-dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2h,13h)-dione, 1,10,10a,14,14a,15b-hexahydro-10a-hydroxy-7-methoxy-2,2-dimethyl-10-((3-methyl-2-butenyl)oxy)-5-(2-methyl-1-propenyl)-, (5r-(5-alpha,10-alpha,10a-alpha,14a-alpha,15b-alpha))-
CAS Number(s)
  • 12626-18-5
InChIKey ACGHJVZDNQZJOV-BMOJZYMJSA-N
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