(Q105331342)

English

methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-5,6-dimethoxy-2-methyl-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (14E)-14-ethylidene-5,6-dimethoxy-2-methyl-19-[(3,4,5-trimethoxybenzoyloxy)methyl]-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

636.26829548 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀N₂O₁₀

0 references

canonical SMILES

O=C(OCC1(C(=O)OC)C2C(=CC)CN3C4OC5(N(C6=CC(OC)=C(OC)C=C6C51C4)C)C3C2)C7=CC(OC)=C(OC)C(OC)=C7

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isomeric SMILES

C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)c(OC)cc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(COC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)OC

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found in taxon

Alstonia macrophylla

2 references

stated in

New indole alkaloids from Alstonia macrophylla

stated in

New indole alkaloids from Alstonia macrophylla

Alstonia lanceolata

1 reference

stated in

Alkaloids of Alstonia lanceolata

Alstonia lanceolifera

1 reference

stated in

Alkaloids of Alstonia lanceolifera

Alstonia lenormandii

1 reference

stated in

Alkaloids of Alstonia lenormandii, a structural revision of 10-methoxycompactinervine

Identifiers

InChI

InChI=1S/C34H40N2O10/c1-9-18-16-36-27-13-20(18)32(31(38)44-8,17-45-30(37)19-10-25(41-5)29(43-7)26(11-19)42-6)33-15-28(36)46-34(27,33)35(2)22-14-24(40-4)23(39-3)12-21(22)33/h9-12,14,20,27-28H,13,15-17H2,1-8H3/b18-9-/t20-,27-,28-,32-,33-,34-/m0/s1

0 references

InChIKey

XMPQOOTZKXFCNH-UOIVLMPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMPQOOTZKXFCNH-UOIVLMPKSA-N

(Q105331342)

methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-5,6-dimethoxy-2-methyl-19-[(3,4,5-trimethoxybenzoyl)oxymethyl]-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

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