(1R,3S,4S,4Ar,8S,8As)-8-(Hydroxymethyl)-3,4A,8-Trimethyl-4-(3-Methylene-4-Penten-1-Yl)Decahydro-1,3-Naphthalenediol

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Formula C20H34O3
IUPAC Name (1r,3s,4s,4ar,8s,8as)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylenepent-4-enyl)decalin-1,3-diol
Molecular Mass 322.482 g·mol−1
Heat of Formation -669.9 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 429.47 Å 3
Surface Area 333.61 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,4s,4ar,8s,8as)-3,4a,8-trimethyl-4-(3-methylenepent-4-enyl)-8-methylol-decalin-1,3-diol
  • (1r,3s,4s,4ar,8s,8as)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylenepent-4-enyl)decalin-1,3-diol
  • (1r,3s,4s,4ar,8s,8as)-8-(hydroxymethyl)-3,4a,8-trimethyl-4-(3-methylidenepent-4-enyl)-2,4,5,6,7,8a-hexahydro-1h-naphthalene-1,3-diol
CAS Number(s)
  • 62279-93-0
InChIKey ZKFWEINMPAYZON-FZWBFHRNSA-N
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