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Catalog Number | ACM61665085-1 |
CAS Number | 61665-08-5 |
Synonyms | Methyl(19α,20α)-11-methoxy-19-methyl-2-oxoformosanan-16-carboxylate |
IUPAC Name | methyl 6'-methoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate |
Molecular Weight | 398.45 |
Molecular Formula | C22H26N2O5 |
Canonical SMILES | CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C=C(C=C5)OC)NC4=O |
InChI | InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26) |
InChI Key | SRKHGHLMEDVZRX-UHFFFAOYSA-N |
Purity | 98% |
Appearance | Solid |
Complexity | 739 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 398.18417193 |
Heavy Atom Count | 29 |
Hydrogen Bond Acceptor Count | 6 |
Hydrogen Bond Donor Count | 1 |
Monoisotopic Mass | 398.18417193 |
PhysicalState | Powder |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 77.1 Ų |
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