Sandorinic Acid A

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Formula C30H46O5
IUPAC Name (2r,4as,6ar,8ar,12as,14r,14as,14bs)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1189.7 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 601.26 Å 3
Surface Area 425.34 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6ar,8ar,12as,14r,14as,14bs)-14,14b-dihydroxy-10-keto-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
  • (2r,4as,6ar,8ar,12as,14r,14as,14bs)-14,14b-dihydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,3,4,5,6,7,8,8a,11,12,13,14-dodecahydropicene-2-carboxylic acid
InChIKey PLEQWDWYBBEGIT-ZTSHXWEVSA-N
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