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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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