(Q105214798)

English

(1S,6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-16-oxido-5-oxa-16-azoniahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one

group of stereoisomers with the chemical formula C₂₂H₃₁NO₃

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Statements

instance of

group of stereoisomers

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1 reference

357.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₁NO₃

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canonical SMILES

O=C1OC2(C)C3CCC4C(=CCC4)C3[N+]5([O-])CC(C)C6CCC2(CC1)C65

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isomeric SMILES

C[C@@H]1C[N+]2([O-])[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@H]1CC[C@@H]3CCC=C3[C@@H]12

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found in taxon

Daphniphyllum oldhamii

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stated in

Alkaloids from Daphniphyllum oldhami

Daphniphyllum pentandrum

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stated in

Alkaloids from Daphniphyllum oldhami

Identifiers

InChI

InChI=1S/C22H31NO3/c1-13-12-23(25)19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)26-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13-,14+,15-,17+,19+,20+,21-,22+,23?/m1/s1

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InChIKey

PTOMOLGIAURSGE-RFXDVTPESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTOMOLGIAURSGE-RFXDVTPESA-N

(Q105214798)

(1S,6R,7S,10S,15R,18S,19R,22S)-6,18-dimethyl-16-oxido-5-oxa-16-azoniahexacyclo[14.5.1.01,6.07,15.010,14.019,22]docos-13-en-4-one

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Identifiers

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