(2α,3Beta,20Beta)-2,3-Diacetoxyurs-12-Ene-24,28-Dioic Acid

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Formula C29H14O8
IUPAC Name (2r,3r,4r,4ar,6ar,6bs,8as,11s,12s,12as,14ar,14br)-2,3-diacetyloxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4,8a-dicarboxylic acid
Molecular Mass 490.417 g·mol−1
Heat of Formation -1789.7 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 708.76 Å 3
Surface Area 506.23 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,4ar,6ar,6bs,8as,11s,12s,12as,14ar,14br)-2,3-diacetoxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4,8a-dicarboxylic acid
  • 2alpha,3beta,20beta-urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate
  • urs-12-ene-23,28-dioic acid, 2,3-bis(acetyloxy)-, (2-alpha,3-beta,4-beta,20-beta)-
CAS Number(s)
  • 79679-46-2
InChIKey FPOJHWIUZUDFHZ-ZBEAUVLGSA-N
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