Hederagenin

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Properties Simple | Detailed

Formula C30H48O4
IUPAC Name (4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 472.700 g·mol−1
Heat of Formation -1051.5 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 598.99 Å 3
Surface Area 429.41 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3-beta,4-alpha)-3,23-dihydroxyolean-12-en-28-oic acid
  • (3.beta.,4.alpha.)-3,23-dihydroxyolean-12-en-28-oic acid
  • (3beta,4alpha)-3,23-dihydroxyolean-12-en-28-oic acid
  • (4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • astrantiagenin e
  • caulosapogenin
  • hederagenic acid
  • hederagenol
  • herderagenin
  • olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-
  • olean-12-en-28-oic acid, 3,23-dihydroxy-, (3.beta.,4.alpha.)-
  • olean-12-en-28-oic acid, 3,23-dihydroxy-, (3beta,4alpha)- (9ci)
  • olean-12-en-28-oic acid, 3-beta,23-dihydroxy- (6ci,7ci,8ci)
  • olean-12-en-28-oic acid, 3.beta.,23-dihydroxy-
  • olean-12-en-28-oic acid, 3beta,23-dihydroxy- (8ci)
CAS Number(s)
  • 465-99-6
InChIKey PGOYMURMZNDHNS-MYPRUECHSA-N
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