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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
(3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one , (3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one , (3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one , (3S,3aR,6E,9S,10E,11aS)-9-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one , (3S,3aR,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
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| Smiles: |
OC[C@H]1O[C@@H](O[C@H]2CC=C(C)CC[C@H]3[C@@H](C=C2C)OC(=O)[C@H]3C)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H32O8/c1-10-4-6-13-12(3)20(26)27-15(13)8-11(2)14(7-5-10)28-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12-19,21-25H,4,6-7,9H2,1-3H3/b10-5+,11-8+/t12-,13+,14-,15+,16+,17+,18-,19+,21+/m0/s1
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| InChi Key : |
InChIKey=OWPORVMZZJAHEF-BJCRYQPISA-N
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| PubChem ID : |
101702520
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| Rotatable bond count : |
3
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
8
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Ionization potential : |
9.454840
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| Hydrogen bond donor count : |
4
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Electric dipole moment : |
5.000
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| XLogP : |
0.774
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VDW volume : |
397.115197
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| Molecular weight : |
412.209718
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HOMO-LUMO gap : |
10.005000
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| Herb list : |
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| Refrences & Litretures: |
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