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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[15-(1,5-dimethylhexyl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , acetic acid [7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester , [7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [7,7,12,16-tetramethyl-15-(6-methylheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ethanoate , acetic acid [15-(1,5-dimethylhexyl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester
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| Smiles: |
CC(CCC[C@H]([C@H]1CC[C@]2([C@]1(C)CC[C@]13[C@@H]2CC[C@H]2[C@@]3(C1)CC[C@H](C2(C)C)OC(=O)C)C)C)C
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| InChi : |
InChI=1S/C32H54O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h21-22,24-27H,9-20H2,1-8H3/t22-,24-,25-,26-,27-,29-,30-,31+,32-/m1/s1
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| InChi Key : |
InChIKey=RRIPWSLJXZPRIU-XJJAYVORSA-N
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| PubChem ID : |
537304
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| Rotatable bond count : |
7
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
2
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Ionization potential : |
9.722075
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
5.193
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| XLogP : |
13.518
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VDW volume : |
515.189668
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| Molecular weight : |
470.412381
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HOMO-LUMO gap : |
11.036000
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| Herb list : |
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| Refrences & Litretures: |
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