(4As,6Br,8As,10S,12R,12Ar,12Bs,14As,14Bs)-12-Hydroxy-10-[(4-Hydroxybenzoyl)Oxy]-2,2,6B,9,9,12A,14A-Heptamethyl-1,3,4,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Octadecahydro-4A(2H)-Picenecarboxylic Acid

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Properties Simple | Detailed

Formula C37H52O6
IUPAC Name (4as,6as,6br,8as,10s,12r,12ar,14as,14bs)-2,2,6b,9,9,12a,14a-heptamethyl-12-oxido-10-(4-oxidobenzene-2,3,5,6-tetraide-1-carbonyl)oxy-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylate
Molecular Mass 592.805 g·mol−1
Heat of Formation -1277.6 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 730.95 Å 3
Surface Area 532.47 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,6br,8as,10s,12r,12ar,14as,14bs)-12-hydroxy-10-(4-hydroxybenzoyl)oxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6as,6br,8as,10s,12r,12ar,14as,14bs)-12-hydroxy-10-(4-hydroxyphenyl)carbonyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6as,6br,8as,10s,12r,12ar,14as,14bs)-12-hydroxy-10-[(4-hydroxyphenyl)-oxomethoxy]-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
  • 1-hydroxy-3-((4-hydroxybenzoyl)oxy)-d-friedoolean-14-en-28-oic acid (1beta,3beta)-
  • 1-hydroxymaprounic 3-p-hydroxybenzoate
  • d-friedoolean-14-en-28-oic acid, 1-hydroxy-3-((4-hydroxybenzoyl)oxy)-, (1beta,3beta)-
  • hobz-ohmap
CAS Number(s)
  • 155510-77-3
InChIKey VGODRAUARQJBJM-FCWPOGGHSA-N
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