[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
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![[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1c65ab892cd04b94bdcaffe96cd926ad.png "[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate")
[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
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CAS No:
154504-97-9
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Formula:
C32H38N4O12
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Chemical Name:
[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
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Synonyms:
9-hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine;9-OHN3Bz-ERD;3-{[(4-azidobenzoyl)oxy]methyl}-3,4,6,7,8a,8b,9a-heptahydroxy-6a,9-dimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1h-pyrrole-2-carboxylate;154504-97-9;9-Ohn3Bz-erd;DTXSID60935001;9-Hydroxy-21-(4-azidobenzoyloxy)-9-epiryanodine
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CAS No:
[3-[(4-azidobenzoyl)oxymethyl]-2,3,6,9,11,13,14-heptahydroxy-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate Basic Attributes
670.7 g/mol
670.24862266 g/mol
Computed Properties
Molecular Weight:670.7
XLogP3:0.4
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:670.24862266
Monoisotopic Mass:670.24862266
Topological Polar Surface Area:234
Heavy Atom Count:48
Complexity:1470
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-2-oxo-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadec-3-en-12-yl) 1H-pyrrole-2-carboxylate
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(2,6,8,12-tetrahydroxy-3,7,11-trimethyl-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl) 1H-pyrrole-2-carboxylate
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[(2R,3S,6S,7R,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-11-[(2S)-1-hydroxypropan-2-yl]-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
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[(1R,3S,6S,7R,9R,10S,11S,12R,13S,14R)-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-2-oxo-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate Formula
97457-26-6
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cyanomethyl 1H-pyrrole-2-carboxylate Formula
500576-60-3
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[2,3,6,9,11,13,14-heptahydroxy-3-(hydroxymethyl)-7,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate Formula
106821-51-6
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(12,13-dihydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 1H-pyrrole-2-carboxylate Structure
103847-10-5
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