(1S,2R,5S,6S,9S,10R,13S,14S)-12-(Hydroxymethyl)-6-Isopropyl-2,9-Dimethyltricyclo[8.4.0.0~5,14~]Tetradec-11-Ene-1,13-Diol

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Properties Simple | Detailed

Formula C20H34O3
IUPAC Name (1s,2r,5s,6s,9s,10r,13s,14s)-12-(hydroxymethyl)-6-isopropyl-2,9-dimethyltricyclo[8.4.0.0 5,14 ]tetradec-11-ene-1,13-diol
Molecular Mass 322.482 g·mol−1
Heat of Formation -724.9 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 416.43 Å 3
Surface Area 320.89 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5-butanonaphthalene-4,8a(1h)-diol, 4,4a,5,6,7,8-hexahydro-8,9-dimethyl-3-(hydroxymethyl)-12-(1-methylethyl)-, (1r-(1-alpha,4-beta,4a-beta,5-alpha,8-beta,8a-beta,9s*,12s*))-
  • antibiotic fr 900478
  • vinigrol
CAS Number(s)
  • 111025-83-3
InChIKey UADXIAKXDDMQEN-VGZBWQSVSA-N
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