(1'R,2R,3'R,8'R,12'S,13'R,17'R,18'Z,20'Z,24'R,25'S)-12'-Hydroxy-17'-[(1R)-1-Hydroxyethyl]-5',13',25'-Trimethyl-11'H,22'H-Spiro[Oxirane-2,26'-[2,10,16,23]Tetraoxatetracyclo[22.2.1.0~3,8~.0~8,25~]Heptacosa[4,18,20]Triene]-11',22'-Dione

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Formula C29H40O9
IUPAC Name (1'r,2r,3'r,8'r,12's,13'r,17'r,18'z,20'z,24'r,25's)-12'-hydroxy-17'-[(1r)-1-hydroxyethyl]-5',13',25'-trimethyl-11'h,22'h-spiro[oxirane-2,26'-[2,10,16,23]tetraoxatetracyclo[22.2.1.0 3,8 .0 8,25 ]heptacosa[4,18,20]triene]-11',22'-dione
Molecular Mass 532.622 g·mol−1
Heat of Formation -1434.6 ± 16.7 kJ·mol−1
Dipole Moment 0.73 ± 1.08 D
Volume 638.91 Å 3
Surface Area 451.58 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • roridin a
CAS Number(s)
  • 14729-29-4
InChIKey NSFWWJIQIKBZMJ-GRQSARHWSA-N
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Elements H C O