(Q105275080)

English

(2R,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosane-16,19-diol

group of stereoisomers with the chemical formula C₂₂H₃₁NO₃

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Statements

instance of

group of stereoisomers

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subclass of

napelline-type alkaloid

1 reference

inferred from

napelline-type alkaloid

mass

357.230393852 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₁NO₃

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canonical SMILES

OC1C(=C)C2CC13C4CC5C6(C)CCC7OC6N(CC)C4C75C3CC2O

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isomeric SMILES

C=C1[C@H]2CC3([C@@H]1O)[C@H]1CC4[C@]5(C)CC[C@H]6O[C@@H]5N(CC)[C@@H]1[C@]46[C@@H]3C[C@@H]2O

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Identifiers

InChI

InChI=1S/C22H31NO3/c1-4-23-17-12-7-14-20(3)6-5-16(26-19(20)23)22(14,17)15-8-13(24)11-9-21(12,15)18(25)10(11)2/h11-19,24-25H,2,4-9H2,1,3H3/t11-,12+,13+,14?,15-,16-,17+,18-,19+,20+,21?,22+/m1/s1

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InChIKey

ULFMQUVPNJZNKM-DRPJYEHZSA-N

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PubChem CID

163185776

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ULFMQUVPNJZNKM-DRPJYEHZSA-N

(Q105275080)

(2R,5S,8R,10S,12S,13S,14R,16S,17R,19R)-11-ethyl-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosane-16,19-diol

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Identifiers

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