(Q104994041)

English

dimethyl (1S,9R,15S,16S,17S,18R,21R)-15,17,18-trihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Dimethyl 15,17,18-trihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

474.20021592 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

dimethyl (1S,9R,15R,16S,17S,18R,21R)-15,17,18-trihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₀N₂O₈

0 references

canonical SMILES

O=C(OC)N1C2=CC=C(OC)C=C2C34CCN5CCC(O)C6(CCC13C(O)(C(=O)OC)C6O)C54

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isomeric SMILES

COC(=O)N1c2ccc(OC)cc2[C@@]23CCN4CC[C@H](O)[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43

0 references

found in taxon

Kopsia singapurensis

1 reference

stated in

Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia

Identifiers

InChI

InChI=1S/C24H30N2O8/c1-32-13-4-5-15-14(12-13)22-9-11-25-10-6-16(27)21(17(22)25)7-8-23(22,26(15)20(30)34-3)24(31,18(21)28)19(29)33-2/h4-5,12,16-18,27-28,31H,6-11H2,1-3H3/t16-,17-,18-,21+,22+,23-,24+/m0/s1

0 references

InChIKey

FELVAZDUIFIGTH-GHZRSYSQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FELVAZDUIFIGTH-GHZRSYSQSA-N

1 reference

(Q104994041)

dimethyl (1S,9R,15S,16S,17S,18R,21R)-15,17,18-trihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

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