(3β,15Alpha,24E)-3,15-Diacetoxylanosta-7,9(11),24-Trien-26-Oic Acid

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Properties Simple | Detailed

Formula C28H26O6
IUPAC Name formaldehyde; molecular oxygen; prop-1-yn-1-ol; (3r,8e)-2',4,7,11-tetramethylene-8-(2-methylenecyclopropylidene)spiro[5,6-didehydrobenzo[9]annulene-3,1'-cyclopropane]-10-one
Molecular Mass 458.502 g·mol−1
Heat of Formation -1322.9 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 713.59 Å 3
Surface Area 551.56 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • (e,6r)-6-[(3s,5r,10s,13r,14r,15s,17r)-3,15-diacetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
  • (e,6r)-6-[(3s,5r,10s,13r,14r,15s,17r)-3,15-diacetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
  • (e,6r)-6-[(3s,5r,10s,13r,14r,15s,17r)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
  • (e,6r)-6-[(3s,5r,10s,13r,14r,15s,17r)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
InChIKey OTUZGGSAOMCYNC-CRTLAZRUSA-N
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