(Q105159903)

English

(2S)-2-[(1S,3S,4S,5R,6S,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

pyrrolizidine alkaloid

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tropane alkaloids

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tetronic acid

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mass

405.215137712 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₁NO₆

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canonical SMILES

O=C1OC(C(OC)=C1C)C2OC34OC5CC(N6CCC3C65CC(O)CC)C4C2C

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isomeric SMILES

CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)[C@@H]([C@@H]6OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42

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found in taxon

Stemona aphylla

1 reference

stated in

Phytochemical studies on Stemona aphylla: isolation of a new stemofoline alkaloid and six new stemofurans.

Identifiers

InChI

InChI=1S/C22H31NO6/c1-5-12(24)9-21-14-6-7-23(21)13-8-15(21)28-22(14)16(13)10(2)18(29-22)19-17(26-4)11(3)20(25)27-19/h10,12-16,18-19,24H,5-9H2,1-4H3/t10-,12-,13-,14+,15-,16+,18-,19+,21-,22+/m0/s1

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InChIKey

LZIYZPJJVMGBPX-RTUAJTOESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LZIYZPJJVMGBPX-RTUAJTOESA-N

1 reference

(Q105159903)

(2S)-2-[(1S,3S,4S,5R,6S,8S,9S,13R)-9-[(2S)-2-hydroxybutyl]-4-methyl-2,14-dioxa-10-azapentacyclo[6.5.1.01,5.06,10.09,13]tetradecan-3-yl]-3-methoxy-4-methyl-2H-furan-5-one

Statements

Identifiers

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