2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]-
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![2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ee4ddfba6eae47eca94160c06f74fb82.png "2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]-")
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]-
structure -
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CAS No:
56293-11-9
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Formula:
C22H26N2O4
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Chemical Name:
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]-
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Synonyms:
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]-;(4E,5S)-6-(Acetyloxymethyl)-4-ethylidene-1,3,4,5,6,7-hexahydro-2α,5α-ethano-2H-azocino[4,3-b]indole-6β-carboxylic acid methyl ester;O-Acetylvallesamine
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CAS No:
2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 6-[(acetyloxy)me thyl]-4-ethylidene-1,3,4,5,6,7-hexahydro-, methyl ester, [5S-[4E,5alph a,6beta]]- Basic Attributes
382.45284
382.189
Computed Properties
Molecular Weight:382.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:382.18925731
Monoisotopic Mass:382.18925731
Topological Polar Surface Area:71.6
Heavy Atom Count:28
Complexity:663
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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