(Q105288314)

English

(1S,2R,5R,6R,14S,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amine

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[4-(1,3-dimethylpiperidin-4-yl)butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amine

1 reference

based on heuristic

inferred from SMILES

mass

478.39231422 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀N₂O

0 references

canonical SMILES

O1C23C(C=CC(N(C)C)C2)=CC4=CCC5(C)C(CCC5C14CC3)C(C)CCC6CCN(C)CC6C

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isomeric SMILES

C[C@@H]1CN(C)CC[C@H]1CC[C@H](C)[C@H]1CC[C@H]2[C@@]34CC[C@]5(C[C@H](N(C)C)C=CC5=CC3=CC[C@]12C)O4

0 references

found in taxon

Corticium simplex

1 reference

stated in

Cortistatins E, F, G, and H, four novel steroidal alkaloids from marine sponge Corticium simplex

Identifiers

InChI

InChI=1S/C32H50N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9-10,13,19,22-24,27-29H,7-8,11-12,14-18,20-21H2,1-6H3/t22-,23+,24+,27+,28+,29+,30+,31+,32+/m0/s1

0 references

InChIKey

VLDPMNNSRDPUBG-IINGSRCSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLDPMNNSRDPUBG-IINGSRCSSA-N

(Q105288314)

(1S,2R,5R,6R,14S,16R)-5-[(2S)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amine

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Identifiers

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