(Q105352703)

English

methyl (1S,12S,13R,14S)-15-ethylidene-13-(hydroxymethyl)-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

0 references

subclass of

sarpagine alkaloid

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mass

396.204907376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈N₂O₄

0 references

canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CN3C(C4=C(C=5C=C(OC)C=CC5N4C)CC31)C2

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isomeric SMILES

CC=C1CN2[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12

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found in taxon

Alstonia lanceolifera

1 reference

stated in

Alcaloides d'Alstonia lanceolifera

Identifiers

InChI

InChI=1S/C23H28N2O4/c1-5-13-11-25-19-10-17(13)23(12-26,22(27)29-4)20(25)9-16-15-8-14(28-3)6-7-18(15)24(2)21(16)19/h5-8,17,19-20,26H,9-12H2,1-4H3/t17-,19-,20-,23+/m0/s1

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InChIKey

YRBCHUQDMNLZSV-QUZFRVLNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRBCHUQDMNLZSV-QUZFRVLNSA-N

(Q105352703)

methyl (1S,12S,13R,14S)-15-ethylidene-13-(hydroxymethyl)-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate

Statements

Identifiers

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