(Q105015353)

English

[(1S,12S,13R,16S,17S,18R)-7-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl]methanol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

macroline alkaloid

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mass

370.22564282 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀N₂O₃

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canonical SMILES

OCC1C(OCC2C3N(C)C(C4=C(C=5C=C(OC)C=CC5N4C)C3)CC12)C

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isomeric SMILES

COc1ccc2c(c1)c1c(n2C)[C@@H]2C[C@H]3[C@@H](CO)[C@H](C)OC[C@H]3[C@H](C1)N2C

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found in taxon

Alstonia angustifolia

1 reference

stated in

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Identifiers

InChI

InChI=1S/C22H30N2O3/c1-12-17(10-25)14-8-21-22-16(9-20(23(21)2)18(14)11-27-12)15-7-13(26-4)5-6-19(15)24(22)3/h5-7,12,14,17-18,20-21,25H,8-11H2,1-4H3/t12-,14-,17-,18+,20-,21-/m0/s1

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InChIKey

GQFQLUZOFRJACZ-SNUJFQBTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GQFQLUZOFRJACZ-SNUJFQBTSA-N

1 reference

(Q105015353)

[(1S,12S,13R,16S,17S,18R)-7-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7-tetraen-17-yl]methanol

Statements

Identifiers

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