(Q105132511)

English

(2S,3R,6R)-6-{10-[(8R,8aS)-6-{10-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl}-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl}-2-methylpiperidin-3-ol

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

629.58592864 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

Prosopilosine

2 references

based on heuristic

inferred from InChIKey

1 reference

(2R,3S,6S)-6-[10-[(8S,8aR)-6-[10-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol

1 reference

1 reference

(2R,3S,6S)-6-[10-[(8R,8aS)-6-[10-[(2S,5S,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl]-2-methylpiperidin-3-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₇₅N₃O₂

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canonical SMILES

OC1CCC(NC1C)CCCCCCCCCCC2=CC(CCCCCCCCCCC3NC(C)C(O)CC3)C4N(C2)CCC4

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isomeric SMILES

C[C@@H]1N[C@H](CCCCCCCCCC[C@@H]2C=C(CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)CN3CCC[C@@H]23)CC[C@H]1O

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Identifiers

InChI

InChI=1S/C40H75N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30,32-33,35-42,44-45H,3-29,31H2,1-2H3/t32-,33+,35-,36+,37-,38+,39-,40-/m1/s1

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InChIKey

JOTBJXJGDRSICD-HNFPMKNHSA-N

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PubChem CID

45271386

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JOTBJXJGDRSICD-HNFPMKNHSA-N

1 reference

(Q105132511)

(2S,3R,6R)-6-{10-[(8R,8aS)-6-{10-[(2S,5R,6R)-5-hydroxy-6-methylpiperidin-2-yl]decyl}-1,2,3,5,8,8a-hexahydroindolizin-8-yl]decyl}-2-methylpiperidin-3-ol

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