Fumigacin

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Properties Simple | Detailed

Formula C33H44O8
IUPAC Name (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
Molecular Mass 568.698 g·mol−1
Heat of Formation -1516.4 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 700.14 Å 3
Surface Area 501.59 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetoxy-3,7-diketo-4,8,10,14-tetramethyl-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
  • (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
  • (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
  • (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
  • (2z)-2-[(4s,5s,6s,8s,9s,10r,13r,14s,16s)-6,16-diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4h-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
  • 16-(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid
  • 29-nordammara-1,17(20),24-trien-21-oic acid, 6,16-bis(acetyloxy)-3,7-dioxo-, (4-alpha,6-beta,8-alpha,9-beta,13-alpha,14-beta,16-beta,17-beta)-
  • acon0_000265
  • acon1_000380
  • helvolic acid
  • megxm0_000011
CAS Number(s)
  • 29400-42-8
InChIKey MDFZYGLOIJNNRM-OAJDADRGSA-N
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