18A-Glycyrrhetinic Acid

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Properties Simple | Detailed

Formula C30H46O4
IUPAC Name (2s,4as,6ar,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
Molecular Mass 470.684 g·mol−1
Heat of Formation -1007.4 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 589.81 Å 3
Surface Area 428.7 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (3beta,18alpha,20beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid
  • 18-alpha-olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-
  • 18alpha-glycyrrhetinic acid
  • 18alpha-glycyrrhetinic acid; 3?-hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid
  • 3-beta-hydroxy-11-oxo-18-alpha-olean-12-en-30-oic acid
  • beta-glycyrrhetinic acid
  • s00283
InChIKey MPDGHEJMBKOTSU-PMTKVOBESA-N
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