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(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid

(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid

Systemtic Name:(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid
Openeye Name:(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid
CAS Name:(3R,4S,6R,7R,8S,8aS)-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxy-oxomethyl]-1,2'-dioxo-3,4-diphenyl-8-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid
IUPAC Name:(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid
Traditional Name:(3R,4S,6R,7R,8S,8aS)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-1'-(4-nitrobenzyl)oxycarbonyl-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid
Formula: C51H43N3O11
MolecularWeight: 873.90062
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C#CC2=CC3=C(C=C2)N(C(=O)C34C(C5C(=O)OC(C(N5C4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]


Isomeric SMILES

C1CCC(=CC1)C#CC2=CC3=C(C=C2)N(C(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=CC=C6OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]


InChI

InChI=1S/C51H43N3O11/c55-28-29-63-41-19-11-10-18-38(41)46-51(42(47(56)57)44-48(58)65-45(36-16-8-3-9-17-36)43(53(44)46)35-14-6-2-7-15-35)39-30-33(21-20-32-12-4-1-5-13-32)24-27-40(39)52(49(51)59)50(60)64-31-34-22-25-37(26-23-34)54(61)62/h2-3,6-12,14-19,22-27,30,42-46,55H,1,4-5,13,28-29,31H2,(H,56,57)/t42-,43-,44-,45+,46+,51-/m0/s1


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