(2Z)-2-[(1R,2S,5S,6R,10S)-1,10-Dihydroxy-2-[(2E,4E)-1-Hydroxy-10-Methyl-6-Methylene-2,4,9-Undecatrien-2-Yl]-6-(3-Hydroxypropyl)-10-Methylspiro[4.5]Dec-7-Ylidene]Propanal

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Properties Simple | Detailed

Formula C30H46O5
IUPAC Name (2z)-2-[(1r,2s,5s,6s,10r)-1,6-dihydroxy-2-[(2e,4e)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-10-(3-hydroxypropyl)-6-methylspiro[4.5]decan-9-ylidene]propanal
Molecular Mass 486.683 g·mol−1
Heat of Formation -954.3 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 642.58 Å 3
Surface Area 457.94 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(1r,2s,5s,6s,10r)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-2-[(1e,3e)-9-methyl-5-methylene-1-methylol-deca-1,3,8-trienyl]spiro[4.5]decan-9-ylidene]propionaldehyde
  • (2z)-2-[(1r,2s,5s,6s,10r)-1,6-dihydroxy-2-[(1e,3e)-1-(hydroxymethyl)-9-methyl-5-methylene-deca-1,3,8-trienyl]-10-(3-hydroxypropyl)-6-methyl-spiro[4.5]decan-9-ylidene]propanal
  • (2z)-2-[(1r,2s,5s,6s,10r)-1,6-dihydroxy-2-[(1e,3e)-1-(hydroxymethyl)-9-methyl-5-methylenedeca-1,3,8-trienyl]-10-(3-hydroxypropyl)-6-methyl-9-spiro[4.5]decanylidene]propanal
  • (2z)-2-[(1r,2s,5s,6s,10r)-1,6-dihydroxy-2-[(2e,4e)-1-hydroxy-10-methyl-6-methylidene-undeca-2,4,9-trien-2-yl]-10-(3-hydroxypropyl)-6-methyl-spiro[4.5]decan-9-ylidene]propanal
  • 28-deacetylbelamcandal
  • propanal, 2-((1r,2s,5s,6r,10s)-1,10-dihydroxy-2-((1e,3e)-1-(hydroxymethyl)-9-methyl-5-methylene-1,3,8-decatrienyl)-6-(3-hydroxypropyl)-10-methylspiro(4.5)dec-7-ylidene)-, (2z)-
CAS Number(s)
  • 138521-96-7
InChIKey XVFORSWJIMCHND-ADWNQYOQSA-N
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