CHEBI:101384 - 2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone

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ChEBI Name 2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
ChEBI ID CHEBI:101384
Stars This entity has been manually annotated by a third party.
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Formula C24H34N2O6
Net Charge 0
Average Mass 446.537
Monoisotopic Mass 446.24169
InChI InChI=1S/C24H34N2O6/c27-18-13-26(12-17-4-7-21-22(10-17)31-16-30-21)20-6-5-19(32-23(20)15-29-14-18)11-24(28)25-8-2-1-3-9-25/h4,7,10,18-20,23,27H,1-3,5-6,8-9,11-16H2/t18-,19-,20-,23+/m0/s1
InChIKey TYHBJRPCTKOJBR-IHFIDZABSA-N
SMILES C1CCN(CC1)C(=O)C[C@@H]2CC[C@H]3[C@H](O2)COC[C@H](CN3CC4=CC5=C(C=C4)OCO5)O
ChEBI Ontology
Outgoing 2-[(3S,6aS,8S,10aS)-1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone (CHEBI:101384) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-12747 LINCS
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