(2α,5α,10Beta,14Beta)-2,5-Diacetoxy-10-Hydroxytaxa-4(20),11-Dien-14-Yl (2S)-2-Methylbutanoate

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Formula C29H44O7
IUPAC Name [(1s,2s,3s,5s,8s,10s,14s)-2,5-diacetoxy-10-hydroxy-8,12,15,15-tetramethyl-4-methylene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2s)-2-methylbutanoate
Molecular Mass 504.655 g·mol−1
Heat of Formation -1469.5 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 637.0 Å 3
Surface Area 439.27 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 3.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-butyric acid 2,5-diacetoxy-10-hydroxy-8,12,15,15-tetramethyl-4-methylene-tricyclo[9.3.1.0^(3,8)]pentadec-11-en-14-yl ester
  • butanoic acid, 2-methyl-, (3s,4as,5s,6s,7s,11s,12as)-3,5-bis(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-11-hydroxy-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester,
  • hongdoushan a
  • rel-(2r,3r,7r,9r,12r,14r,15r)-o~15~-acetyl-12-(acetyloxy)-7-hydroxy-3-{[(2r)-2-methylbutanoyl]oxy}-13,20-didehydro-7,8,9,10,11,12,13,14-octahydro-2,15:9,14-dicycloretinol
InChIKey HULFDGRJZFOLFD-BNKKXMPWSA-N
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