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183434-04-0 | 1H-Pyrano[3,4-f]indolizine-7-carboxylic acid, 4-ethyl-3,4,8,10-tetrahydro-4,6-dihydroxy-3,10-dioxo-, 1,1-dimethylethyl ester, (4S)-
CAS No: 183434-04-0 Catalog No: AG0027KQ MDL No:
Product Description
Catalog Number:
AG0027KQ
Chemical Name:
1H-Pyrano[3,4-f]indolizine-7-carboxylic acid, 4-ethyl-3,4,8,10-tetrahydro-4,6-dihydroxy-3,10-dioxo-, 1,1-dimethylethyl ester, (4S)-
CAS Number:
183434-04-0
Molecular Formula:
C18H21NO7
Molecular Weight:
363.3618
IUPAC Name:
tert-butyl (4S)-4-ethyl-4,6-dihydroxy-3,10-dioxo-1,8-dihydropyrano[3,4-f]indolizine-7-carboxylate
InChI:
InChI=1S/C18H21NO7/c1-5-18(24)11-6-12-13(20)9(15(22)26-17(2,3)4)7-19(12)14(21)10(11)8-25-16(18)23/h6,20,24H,5,7-8H2,1-4H3/t18-/m0/s1
InChI Key:
GJDMNJXAKIFNJQ-SFHVURJKSA-N
SMILES:
CC[C@@]1(O)C(=O)OCc2c1cc1C(=C(Cn1c2=O)C(=O)OC(C)(C)C)O
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
363.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.366g/mol
Monoisotopic Mass:
363.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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