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20(R)-dammarane,3beta,6alpha,12beta,20,25-pentol
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| PHCD compound ID : |
2448
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| Chemical Names : |
20(R)-dammarane,3beta,6alpha,12beta,20,25-pentol
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| Molecular Formula : |
C30H54O5
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| Molecular Weight : |
494.397125
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More Details :
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| Names & Synonyms: |
(3S,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(1S)-1,5-dihydroxy-1,5-dimethyl-hexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol , (3S,6S,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol , (3S,6S,8R,9R,10R,12R,13R,14S,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2,6-bis(oxidanyl)heptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
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| Smiles: |
O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3[C@H](C[C@]2([C@@]2([C@H]1[C@H](CC2)[C@](CCCC(O)(C)C)(O)C)C)C)O)(C)C)O
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| InChi : |
InChI=1S/C30H54O5/c1-25(2,34)12-9-13-30(8,35)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-35H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27+,28-,29+,30-/m0/s1
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| InChi Key : |
InChIKey=NGIMOASJKTUVOD-CYLKOFLGSA-N
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| PubChem ID : |
195012
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| Rotatable bond count : |
5
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
5
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Ionization potential : |
10.020159
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| Hydrogen bond donor count : |
5
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Electric dipole moment : |
1.453
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| XLogP : |
5.192
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VDW volume : |
521.961296
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| Molecular weight : |
494.397125
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HOMO-LUMO gap : |
12.714000
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| Herb list : |
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| Refrences & Litretures: |
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