Strevertene B

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Formula C32H50O10
IUPAC Name (3r,4s,6s,8s,12r,14r,15r,16r,17e,19e,21e,23e,25e,27s,28r)-3-ethyl-4,6,8,12,14,16-hexahydroxy-27,28-dimethyl-2-oxo-1-oxacyclooctacosa-17,19,21,23,25-pentaene-15-carboxylic acid
Molecular Mass 594.733 g·mol−1
Heat of Formation -1975.2 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 766.26 Å 3
Surface Area 565.33 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4e,6e,8e,10e,12e,14r,15r,16r,18r,22s,24s,26s,27r)-27-ethyl-14,16,18,22,24,26-hexahydroxy-2,3-dimethyl-28-oxo-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid
  • (2r,3s,4e,6e,8e,10e,12e,14r,15r,16r,18r,22s,24s,26s,27r)-27-ethyl-14,16,18,22,24,26-hexahydroxy-28-keto-2,3-dimethyl-1-oxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acid
InChIKey CBRAUJSCEKZDDA-HHSBRKDXSA-N
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