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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(8R,12S)-7,7,12,16-tetramethyl-15-(1,4,5-trimethylhex-5-enyl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , acetic acid [(8R,12S)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester , [(8R,12S)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [(8R,12S)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [(8R,12S)-15-(5,6-dimethylhept-6-en-2-yl)-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ethanoate , acetic acid [(8R,12S)-7,7,12,16-tetramethyl-15-(1,4,5-trimethylhex-5-enyl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester
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| Smiles: |
CC(=O)O[C@H]1CC[C@@]23[C@H](C1(C)C)CC[C@H]1[C@]3(C2)CC[C@@]2([C@@]1(C)CC[C@H]2[C@H](CC[C@@H](C(=C)C)C)C)C
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| InChi : |
InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h22-23,25-28H,1,10-20H2,2-9H3/t22-,23-,25-,26-,27+,28-,30-,31-,32-,33+/m0/s1
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| InChi Key : |
InChIKey=XANCISIMFMVUPX-UFESBAJNSA-N
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| PubChem ID : |
6427354
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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 : |
9.610881
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
4.916
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| XLogP : |
13.21
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VDW volume : |
529.849194
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| Molecular weight : |
482.412381
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HOMO-LUMO gap : |
10.907000
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| Herb list : |
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| Refrences & Litretures: |
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