(1'R,2S,3'R,8'R,12'S,13'R,18'Z,20'Z,24'R,25'S)-12'-Hydroxy-5',13',25'-Trimethyl-11'H,17'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',17',22'-Trione

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Formula C27H34O9
IUPAC Name (1'r,2s,3'r,8'r,12's,13'r,18'z,20'z,24'r,25's)-12'-hydroxy-5',13',25'-trimethyl-11'h,17'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',17',22'-trione
Molecular Mass 502.553 g·mol−1
Heat of Formation -1392.8 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 585.19 Å 3
Surface Area 420.71 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • spiro(16,18-methano-1h,3h,23h-[1,6,12]trioxacyclooctadecino[3, 4-d](1)benzopyran-17(18h),2'-oxirane)-3,9,14-trione, 4,5,6,7,16, 16a,19a,22-octahydro-4-hydroxy-5,16a,21-trimethyl-, stereoisomer
  • verrucarin a
CAS Number(s)
  • 3148-09-2
InChIKey NLUGUZJQJYVUHS-CFEGEJFQSA-N
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