(Q105028883)

English

(1S,12S,13R,16S,20S,21R)-3,16,23-trimethyl-15,17-dioxa-3,23-diazahexacyclo[10.10.1.02,10.04,9.013,21.016,20]tricosa-2(10),4,6,8-tetraen-18-one

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

366.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆N₂O₃

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canonical SMILES

O=C1OC2(OCC3C4N(C)C(C5=C(C=6C=CC=CC6N5C)C4)CC3C2C1)C

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isomeric SMILES

CN1[C@H]2C[C@H]3[C@@H]4CC(=O)O[C@]4(C)OC[C@H]3[C@@H]1Cc1c2n(C)c2ccccc12

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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/C22H26N2O3/c1-22-16(10-20(25)27-22)13-8-19-21-14(9-18(23(19)2)15(13)11-26-22)12-6-4-5-7-17(12)24(21)3/h4-7,13,15-16,18-19H,8-11H2,1-3H3/t13-,15-,16+,18+,19+,22+/m1/s1

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InChIKey

HIJSJXVEJVBFFC-ZPPAPSBDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HIJSJXVEJVBFFC-ZPPAPSBDSA-N

1 reference

(Q105028883)

(1S,12S,13R,16S,20S,21R)-3,16,23-trimethyl-15,17-dioxa-3,23-diazahexacyclo[10.10.1.02,10.04,9.013,21.016,20]tricosa-2(10),4,6,8-tetraen-18-one

Statements

Identifiers

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