(2R,3S,4S,4aS,8aS)-8-(hydroxymethyl)-3,4,8a-trimethyl-2-oxidanyl-4-[(2R)-2-oxidanyl-2-[(2S)-2-quinoxalin-2-yloxiran-2-yl]ethyl]-3,4a,5,6-tetrahydro-2H-naphthalen-1-one

Systemtic Name: (2R,3S,4S,4aS,8aS)-8-(hydroxymethyl)-3,4,8a-trimethyl-2-oxidanyl-4-[(2R)-2-oxidanyl-2-[(2S)-2-quinoxalin-2-yloxiran-2-yl]ethyl]-3,4a,5,6-tetrahydro-2H-naphthalen-1-one Openeye Name: (2R,3S,4S,4aS,8aS)-2-hydroxy-8-(hydroxymethyl)-4-[(2R)-2-hydroxy-2-[(2S)-2-quinoxalin-2-yloxiran-2-yl]ethyl]-3,4,8a-trimethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one CAS Name: (2R,3S,4S,4aS,8aS)-2-hydroxy-8-(hydroxymethyl)-4-[(2R)-2-hydroxy-2-[(2S)-2-(2-quinoxalinyl)-2-oxiranyl]ethyl]-3,4,8a-trimethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one IUPAC Name: (2R,3S,4S,4aS,8aS)-2-hydroxy-8-(hydroxymethyl)-4-[(2R)-2-hydroxy-2-[(2S)-2-quinoxalin-2-yloxiran-2-yl]ethyl]-3,4,8a-trimethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one Traditional Name: (2R,3S,4S,4aS,8aS)-2-hydroxy-4-[(2R)-2-hydroxy-2-[(2S)-2-quinoxalin-2-yloxiran-2-yl]ethyl]-3,4,8a-trimethyl-8-methylol-3,4a,5,6-tetrahydro-2H-naphthalen-1-one Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)C2(C(C1(C)CC(C3(CO3)C4=NC5=CC=CC=C5N=C4)O)CCC=C2CO)C)O

Isomeric SMILES

C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)C[C@H]([C@@]3(CO3)C4=NC5=CC=CC=C5N=C4)O)CCC=C2CO)C)O

InChI

InChI=1S/C26H32N2O5/c1-15-22(31)23(32)25(3)16(13-29)7-6-10-19(25)24(15,2)11-21(30)26(14-33-26)20-12-27-17-8-4-5-9-18(17)28-20/h4-5,7-9,12,15,19,21-22,29-31H,6,10-11,13-14H2,1-3H3/t15-,19+,21-,22-,24-,25-,26-/m1/s1