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HIT218832675
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HIT218832675
  • HIT ID:HIT218832675
  • Cas No:
  • Common Name:9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl 3-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl}propanoate
    Common Name:9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl 3-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl}propanoate
  • IUPAC:9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl}propanoate
    IUPAC:9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamoyl}propanoate
  • InChI key:CEZJGMHPGUGAEW-UHFFFAOYSA-N
  • Molecular Formula:C37H61NO8
  • Molecular Weight:647.894
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NC1C(O)OC(CO)C(O)C1O
    SMILES:CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NC1C(O)OC(CO)C(O)C1O
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