(3R,3aR,4S,4aR,7R,8aR,9aR)-7-((Ethoxycarbonyl)amino)-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid | CAS No. 900161-13-9

(3R,3aR,4S,4aR,7R,8aR,9aR)-7-((Ethoxycarbonyl)amino)-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid

Basic Information

CAS Number

900161-13-9

Molecular Formula

C17H25NO6

Molecular Weight

339.39 g/mol

AD

Basic Physical Properties

CCOC(=O)NC1CCC2C(C1)CC3C(C2C(=O)O)C(OC3=O)C

InChI

InChI=1S/C17H25NO6/c1-3-23-17(22)18-10-4-5-11-9(6-10)7-12-13(14(11)15(19)20)8(2)24-16(12)21/h8-14H,3-7H2,1-2H3,(H,18,22)(H,19,20)/t8-,9+,10-,11-,12-,13-,14+/m1/s1

InChIKey

IYJNBOZDJDFHBC-DKYFYASOSA-N

LogP

1.7996

Topological Polar Surface Area

101.92999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

535

Synonyms & References

English

  • (1R,3aR,4aR,8aR,9S,9aR)-1-methyl-3-oxodecahydro-3H-spiro[naphtho[2,3-c]furan-6,2'-[1,3]dioxolane]-9-carboxylic acid
  • Naphtho[2,3-c]furan-4-carboeylic acid,7-[(ehoxycarbonyl)amino]dodecahydro-3-methyl-1-oxo-(3R、3aR、4S、4aR、7R、8aR、9aR)-
  • (3R,3aR,4S,4aR,7R,8aR,9aR)-7-((Ethoxycarbonyl)amino)-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-carboxylic acid
  • Vorapaxar int-A
  • (3R,3aR,4S,4aR,7R,8aR,9aR)-7-[(Ethoxycarbonyl)amino]dodecahydro-3-methyl-1-oxonaphtho[2,3-c]furan-4-carboxylic acid
  • (3R,3aR,4S,4aR,7R,8aR,9aR)-7-[(Ethoxycarbonyl)amino]dodecahydro-3-methyl-1-oxonaphtho[2,3-c]furan-4-carboxylic acid (ACI)
  • (1R,3aR,4aR,6R,8aR,9S,9aR)-6-(ethoxycarbonylamino)-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-9-carboxylic acid
  • SCHEMBL471183
  • 900161-13-9
  • (1R,3aR,4aR,8aR,9S,9aR)-1-Methyl-3-Oxodecahydro-3H-Spiro[Naphtho[2,3-c]Furan-6,2'-[1,3]Dioxolane]-9-Carboxylic Acid

MDL Number

MFCD29919252

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