(5Xi,9Xi,18Xi,22β)-24-Hydroxy-22-{[(2Z)-2-Methyl-2-Butenoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid

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Formula C35H20O6
IUPAC Name (4r,4as,6as,6br,9s,12ar)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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 536.530 g·mol−1
Heat of Formation 3545.0 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 549.58 Å 3
Surface Area 429.03 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -2.29 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,4as,6as,6br,9s,12ar)-10-keto-2,2,6a,6b,9,12a-hexamethyl-4-[(z)-2-methylbut-2-enoyl]oxy-9-methylol-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4r,4as,6as,6br,9s,12ar)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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
InChIKey NZQARWYKOBSGNY-QOJGYTGKSA-N
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