(22β)-22-{[(2Z)-2-Methyl-2-Butenoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C35H52O5
IUPAC Name (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 552.784 g·mol−1
Heat of Formation 1655.5 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 665.29 Å 3
Surface Area 478.33 Å 2
Point Group Symmetry C1
Synonyms
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methyl-1-oxobut-2-enoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • 22-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, (22beta)
  • 22-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, 22-beta(z)-
  • 22-beta-angeloyloxyoleanolic acid
  • olean-12-en-28-oic acid, 22-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-, (22beta(z))-
  • olean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-, 2-methylcrotonate, (z)-
  • olean-12-en-28-oic acid, 22beta-hydroxy-3-oxo-, 2-methylcrotonate, (z)-
  • rehmannic acid
CAS Number(s)
  • 467-81-2
InChIKey KCLIRHUTOPOHKJ-LSZVMECJSA-N
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