(Q105190276)

English

methyl (1R,9S,10S,12S,13S,16S,17R,18S)-18-hydroxy-13-[(1S)-1-hydroxyethyl]-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

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384.204907376 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₄

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canonical SMILES

O=C(OC)C12C(O)C34C=5C=CC=CC5N(C)C4C6N(CC(C(O)C)C1C6)C2C3

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isomeric SMILES

COC(=O)[C@]12[C@H]3C[C@H]4[C@H]5N(C)c6ccccc6[C@@]5(C[C@@H]1N4C[C@H]3[C@H](C)O)[C@@H]2O

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found in taxon

Alstonia macrophylla

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stated in

Alkaloids of Alstonia macrophylla

Identifiers

InChI

InChI=1S/C22H28N2O4/c1-11(25)12-10-24-16-8-14(12)22(20(27)28-3)17(24)9-21(19(22)26)13-6-4-5-7-15(13)23(2)18(16)21/h4-7,11-12,14,16-19,25-26H,8-10H2,1-3H3/t11-,12-,14-,16-,17-,18+,19-,21+,22+/m0/s1

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InChIKey

OEGZONSWPCBTKS-ZAGCQRFYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OEGZONSWPCBTKS-ZAGCQRFYSA-N

(Q105190276)

methyl (1R,9S,10S,12S,13S,16S,17R,18S)-18-hydroxy-13-[(1S)-1-hydroxyethyl]-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

Statements

Identifiers

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