(E)-2-[(3S,6'R,7'S,8'As)-6'-Ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoic acid
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(E)-2-[(3S,6'R,7'S,8'As)-6'-Ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoic acid

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Catalog Number ACM144525053
CAS Number 144525-05-3
Molecular Weight 370.4
InChI InChI=1S/C21H26N2O4/c1-3-13-11-23-9-8-21(16-6-4-5-7-17(16)22-20(21)26)18(23)10-14(13)15(12-27-2)19(24)25/h4-7,12-14,18H,3,8-11H2,1-2H3,(H,22,26)(H,24,25)/b15-12+/t13-,14-,18-,21-/m0/s1
InChI Key IQSFEAHJUMVILC-RCDYFXNXSA-N
Purity 95%+
Complexity 648
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 4
Exact Mass 370.18925731
Heavy Atom Count 27
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
Isomeric SMILES CC[C@H]1CN2CC[C@@]3([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)O)C4=CC=CC=C4NC3=O
Monoisotopic Mass 370.18925731
PhysicalState Powder
Rotatable Bond Count 4
Topological Polar Surface Area 78.9 Ų

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