1ST

(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE
Synonyms3-HYDROXYSTAUROSPORINE
Identifiersn/a
FormulaC28 H24 N4 O4
Molecular Weight480.515
TypeNON-POLYMER
Isomeric SMILESC[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccc(cc4c5c3c6n2c7ccccc7c6c8c5C(=O)N=C8)O)NC)OC
InChIInChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1
InChIKeyJTLFDPIJDGKVHW-FYTWVXJKSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count4
Bond Count67
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 11963532