(Q105229432)

English

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

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

sarpagine alkaloid

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mass

338.199428072 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₂

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canonical SMILES

OCC1C2C(=CC)CN3C(C4=C(C=5C=C(OC)C=CC5N4C)CC31)C2

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isomeric SMILES

C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12

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found in taxon

Alstonia angustifolia

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stated in

Alkaloids from Alstonia angustifolia

Alstonia macrophylla

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stated in

Alkaloids from the stem-bark of Alstonia macrophylla

Identifiers

InChI

InChI=1S/C21H26N2O2/c1-4-12-10-23-19-9-16-15-7-13(25-3)5-6-18(15)22(2)21(16)20(23)8-14(12)17(19)11-24/h4-7,14,17,19-20,24H,8-11H2,1-3H3/b12-4-/t14-,17+,19-,20-/m0/s1

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InChIKey

QWVWSERSLAJTNG-UNCJESFNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWVWSERSLAJTNG-UNCJESFNSA-N

1 reference

(Q105229432)

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

Statements

Identifiers

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