(2Z)-2-[(1S,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 16-ethynyl-15-(3-hydroxyprop-2-ynyl)-7-methylene-10,11-bis(oxomethylene)bicyclo[12.4.0]octadeca-1(14),15,17-trien-3,5,8,12-tetrayn-2-one; formaldehyde
Molecular Mass 486.683 g·mol−1
Heat of Formation -953.4 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 643.63 Å 3
Surface Area 482.22 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-2-[(1s,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-[(1s,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-[(1s,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-[(1s,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
  • (2z)-2-[(1s,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
InChIKey XVFORSWJIMCHND-HWEIDYSJSA-N
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