Dehydrocholic Acid

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Properties Simple | Detailed

Formula C24H34O5
IUPAC Name (4r)-4-[(5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 402.524 g·mol−1
Heat of Formation -1103.8 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 499.53 Å 3
Surface Area 388.52 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-[(5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (4r)-4-[(5s,8r,9s,10s,13r,14s,17r)-3,7,12-triketo-10,13-dimethyl-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]valeric acid
  • (5beta)-3,7,12-trioxocholan-24-oic acid
  • 3,7,12-triketo-5.beta.-cholanic acid
  • 3,7,12-triketo-5.beta.-cholanoic acid
  • 3,7,12-triketo-5beta-cholanoic acid
  • 3,7,12-triketocholanic acid
  • 3,7,12-trioxo-5-beta-cholan-24-oic acid
  • 3,7,12-trioxo-5.beta.-cholan-24-oic acid
  • 3,7,12-trioxo-5.beta.-cholanic acid
  • 3,7,12-trioxo-5beta-cholan-24-oic acid
  • 3,7,12-trioxo-5beta-cholanic acid
  • 3,7,12-trioxocholanic acid
  • 5-beta-cholan-24-oic acid, 3,7,12-trioxo-
  • 5.beta.-cholan-24-oic acid, 3,7,12-trioxo-
  • 5.beta.-cholanic acid, 3,7,12-trioxo-
  • 5beta-cholan-24-oic acid, 3,7,12-trioxo- (8ci)
  • 5beta-cholanic acid, 3,7,12-trioxo-
  • 5beta-cholanic acid-3,5,12-trione
  • acido dehidrocolico [spanish]
  • acido deidrocolico [dcit]
  • acidum dehydrocholicum [latin]
  • acolen
  • bilidren
  • bilostat
  • biochol
  • bpbio1_000184
  • cholagon
  • cholan dh
  • cholan-24-oic acid, 3,7,12-trioxo-, (5-beta)-
  • cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-
  • cholic acid, dehydro-
  • cholimed
  • chologon
  • d01693
  • d06438
  • decholin
  • dee-co
  • dehychol
  • dehycol
  • dehycon
  • dehydrocholate
  • dehydrocholic acid (jp15/usp)
  • dehydrocholic acid [ban:inn:jan]
  • dehystolin
  • deidrocolico vita
  • dhc
  • didocol
  • didrocolo
  • dilabil
  • doxycholpotassium
  • drenobyl
  • erebile
  • felacrinos
  • hydrochol
  • hykolex
  • ketochol
  • ketocholanic acid
  • khologon
  • lmst04010106
  • novocolin
  • oxycholin
  • pdsp2_000076
  • procholon
  • purified dehydrocholic acid
  • purified dehydrocholic acid (jp15)
  • sanocholen
  • triketocholanic acid
CAS Number(s)
  • 81-23-2
  • 94107-86-5
InChIKey OHXPGWPVLFPUSM-KLRNGDHRSA-N
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