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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
[(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-7-isopropyl-3-(2-methylbutanoyloxy)-4-methylene-2-oxo-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate , (E)-3-methyl-2-pentenoic acid [(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-4-methylene-3-(2-methyl-1-oxobutoxy)-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] ester , [(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate , [(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxidanylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate , (E)-3-methylpent-2-enoic acid [(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-7-isopropyl-2-keto-3-(2-methylbutanoyloxy)-4-methylene-3,3a,5,6,7,7a-hexahydroinden-5-yl] ester
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| Smiles: |
CC/C(=C/C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@H](C1=C)[C@H](OC(=O)[C@@H](CC)C)C(=O)/C/2=C/C)/C
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| InChi : |
InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11+/t16-,19+,20-,22+,23+,25+/m1/s1
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| InChi Key : |
InChIKey=XTQQLVJPORCMAK-FHPFAYHESA-N
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| PubChem ID : |
71718849
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| Rotatable bond count : |
9
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
9.656175
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
5.271
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| XLogP : |
5.323
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VDW volume : |
461.671523
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| Molecular weight : |
430.271924
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HOMO-LUMO gap : |
9.553000
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| Herb list : |
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| Refrences & Litretures: |
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