Blepharocalyxin C

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Properties Simple | Detailed

Formula C38H42O7
IUPAC Name formaldehyde; 5-(2-hydroxypent-1-en-3-ynylidene)-6-(3-hydroxyprop-2-ynyl)-2-[2-[2-(oxomethylene)cyclopropyl]ethynyl]spiro[6h-cyclopenta[b]pyran-7,4'-cyclohexa-2,5-diene]-1',4-dione
Molecular Mass 610.736 g·mol−1
Heat of Formation -1029.7 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 761.99 Å 3
Surface Area 626.2 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,6s)-3-[(1s,3s)-3-hydroxy-5-(4-hydroxyphenyl)-1-[(e)-2-(4-hydroxyphenyl)vinyl]pentyl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]-4-tetrahydropyranol
  • (2s,3s,4s,6s)-3-[(1s,3s)-3-hydroxy-5-(4-hydroxyphenyl)-1-[(e)-2-(4-hydroxyphenyl)vinyl]pentyl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-4-ol
  • (2s,3s,4s,6s)-3-[(e,1s)-1-[(2s)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-3-(4-hydroxyphenyl)prop-2-enyl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]tetrahydropyran-4-ol
  • (2s,3s,4s,6s)-3-[(e,3s,5s)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-yl]-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-ol
InChIKey OCGXHNIZNJTINO-XKXZSYDMSA-N
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