(7β,23S,24E)-7,23-Dihydroxy-3,11,15-Trioxolanosta-8,24-Dien-26-Oic Acid

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Formula C30H42O7
IUPAC Name (e,4s,6r)-2-methyl-4-oxido-6-[(5r,7s,10s,13r,14r,17r)-4,4,10,13,14-pentamethyl-7-oxido-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoate
Molecular Mass 514.650 g·mol−1
Heat of Formation -1383.9 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 636.83 Å 3
Surface Area 464.18 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s,6r)-4-hydroxy-6-[(5r,7s,10s,13r,14r,17r)-7-hydroxy-3,11,15-triketo-4,4,10,13,14-pentamethyl-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
  • (e,4s,6r)-4-hydroxy-6-[(5r,7s,10s,13r,14r,17r)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
  • (e,4s,6r)-4-hydroxy-6-[(5r,7s,10s,13r,14r,17r)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
InChIKey YVIVANDTNNUXRH-LEWHDHFNSA-N
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