(Q105363747)

English

methyl (1R,9R,10S,12R,13E,18R)-4-[(4aS,5R,6S)-5-ethenyl-1-oxo-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-6-yl]-13-ethylidene-5-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5-triene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (13Z)-4-{5-ethenyl-1-oxo-3H,4H,4aH,5H,6H,7H-pyrano[3,4-c]pyridin-6-yl}-13-ethylidene-5-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2(7),3,5-triene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (13E)-4-{5-ethenyl-1-oxo-3H,4H,4aH,5H,6H,7H-pyrano[3,4-c]pyridin-6-yl}-13-ethylidene-5-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2(7),3,5-triene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

545.288971348 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₉N₃O₅

0 references

canonical SMILES

O=C1OCCC2C1=CNC(C=3C=C4C(=CC3OC)N(C)C5C6N7CC(=CC)C(C6)C(C(=O)OC)C45CC7)C2C=C

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isomeric SMILES

C=C[C@@H]1[C@@H]2CCOC(=O)C2=CN[C@@H]1c1cc2c(cc1OC)N(C)[C@H]1[C@@H]3C[C@H]4/C(=C\C)CN3CC[C@@]21[C@@H]4C(=O)OC

0 references

found in taxon

Alstonia balansae

1 reference

stated in

Some alkaloids of Alstonia undulata

Identifiers

InChI

InChI=1S/C32H39N3O5/c1-6-17-16-35-10-9-32-23-12-21(28-18(7-2)19-8-11-40-30(36)22(19)15-33-28)26(38-4)14-24(23)34(3)29(32)25(35)13-20(17)27(32)31(37)39-5/h6-7,12,14-15,18-20,25,27-29,33H,2,8-11,13,16H2,1,3-5H3/b17-6-/t18-,19+,20+,25+,27+,28+,29+,32+/m1/s1

0 references

InChIKey

YUMCVPNXHXTIQW-MFZMROISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUMCVPNXHXTIQW-MFZMROISSA-N

(Q105363747)

methyl (1R,9R,10S,12R,13E,18R)-4-[(4aS,5R,6S)-5-ethenyl-1-oxo-3,4,4a,5,6,7-hexahydropyrano[3,4-c]pyridin-6-yl]-13-ethylidene-5-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5-triene-18-carboxylate

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Identifiers

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