(Q105022685)

English

2,18-dimethyl (9R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate

group of stereoisomers with the chemical formula C₂₃H₂₈N₂O₅

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instance of

group of stereoisomers

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subclass of

aspidospermine / aspidofractine / kopsane alkaloid

1 reference

inferred from

aspidospermine / aspidofractine / kopsane alkaloid

mass

412.1998219959999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₃H₂₈N₂O₅

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canonical SMILES

O=C(OC)N1C=2C=CC=CC2C34CCN5CCCC6(CCC13C(O)(C(=O)OC)C6)C54

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isomeric SMILES

COC(=O)N1c2ccccc2[C@@]23CCN4CCCC5(CCC12[C@](O)(C(=O)OC)C5)[C@H]43

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Identifiers

InChI

InChI=1S/C23H28N2O5/c1-29-18(26)22(28)14-20-8-5-12-24-13-11-21(17(20)24)15-6-3-4-7-16(15)25(19(27)30-2)23(21,22)10-9-20/h3-4,6-7,17,28H,5,8-14H2,1-2H3/t17-,20?,21+,22+,23?/m0/s1

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InChIKey

GWQXRASFYLYGJN-JSTWXLBDSA-N

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PubChem CID

10024663

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GWQXRASFYLYGJN-JSTWXLBDSA-N

1 reference

(Q105022685)

2,18-dimethyl (9R,18S,21S)-18-hydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate

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