3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-
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![3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/21864cf025514ec086c699f6aa77524d.png "3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-")
3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-
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CAS No:
61231-06-9
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Formula:
C38H40N2O11
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Chemical Name:
3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-
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Synonyms:
3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3R,4S,5S,5aR,6S,7R,9S,9aR)-rel-(-)-;3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-;Cathedulin 2;Catheduline E 2;Cathedulin E 2
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CAS No:
3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)- Basic Attributes
700.731
700.73
DTXSID70331858
Computed Properties
Molecular Weight:700.7
XLogP3:4.3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:14
Exact Mass:700.26321010
Monoisotopic Mass:700.26321010
Topological Polar Surface Area:167
Heavy Atom Count:51
Complexity:1330
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Pyridinecarboxylic acid,[6,7-bis(acetyloxy)-5-(benzoyloxy)octahydro-2,2,9-trimethyl-4-[(3-pyridinylcarbonyl)oxy]-5aH-3,9a-methano-1-benzoxepin-5a-yl]methyl ester,(3α,4α,5β,5aα,6α,7α,9α,9aα)-(-)-
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