(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate

Catalog No. :: ACFWBL826
CAS No. :: 7163-44-2
Molecular Formula :: C21H26N2O4
Molecular Weight :: 370.45

IUPAC Name:(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate

(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate structure diagram

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Product Name	(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate
IUPAC Name	(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate
Molecular Formula	C21H26N2O4
Molecular Weight	370.45
SMILES	C/C=C1/C[N@+]2(C)CC[C@@]34C5=CC=CC=C5N[C@]32[C@@H](O)C[C@H]1[C@@]4(CO)C(=O)[O-]
InChI Key	AHPUGTDAOMLACC-MZOQCDDLSA-N
Synonym	Echitaminic acid
CAS No.	7163-44-2

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ACFWBL8267163-44-2

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ACFWBL8267163-44-2

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(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate

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1. ACFWBL826 Molecular Building Block Synthetic Route

2. ACFWBL826 Molecular Building Block Synthetic Route

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(1S,3R,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium-14-carboxylate

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Synthetic Route by SureRoute

(1S,3S,6S,8aS,13aR,14R,E)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium chloride

4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium

methyl (Z)-4-ethylidene-1-hydroxy-14-(hydroxymethyl)-2,3,4,5,7,8-hexahydro-1H,13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indole-14-carboxylate

methyl 5-ethylidene-9-methyl-1,2,5,6-tetrahydro-4H,9H-3,8a,6-(epiethane[1,1,2]triyl)azocino[4',5':3,4]furo[2,3-b]indole-6a(7H)-carboxylate

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