Formula |
C23H28O5 |
IUPAC Name |
2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid |
Molecular Mass |
384.465 g·mol−1 |
Heat of Formation |
-843.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.94 ± 1.08 D |
Volume |
493.6 Å 3 |
Surface Area |
395.99 Å 2 |
HOMO Energy |
-8.34 ± 0.55 eV |
LUMO Energy |
-0.47 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid
- 2,4-dihydroxy-6-methyl-3-[(e)-3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoic acid
- 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)-3-furyl]hex-2-enyl]benzoic acid
- 2,4-dihydroxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoic acid
- cristatic acid
- cristatic acid -1 (permethyl deriv )
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CAS Number(s) |
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InChIKey |
SHLSLIGKNZUPMK-OVCLIPMQSA-N |
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Links |
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Elements |
H
C
O
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