(Q105234931)

English

1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1R,2S,3R,10R,13R,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.0^{2,13.0^{3,7.0^{7,12]hexadecan-2-yl]propan-1-one

group of stereoisomers with the chemical formula C₃₀H₄₇NO₃

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Statements

instance of

group of stereoisomers

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1 reference

2,8-dioxabicyclo[3.2.1]octane polyketide

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inferred from

2,8-dioxabicyclo[3.2.1]octane polyketide

mass

469.355594364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₇NO₃

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canonical SMILES

O=C(CCC12C3N4CC(CCC45CCCC51)C2(C)CCC3C(C)C)C6(C)COC7(OC6CC7)C

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found in taxon

Daphniphyllum longeracemosum

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stated in

Alkaloids fromDaphniphyllum longeracemosum

Daphniphyllum subverticillatum

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stated in

Alkaloids from Daphniphyllum oldhami

Daphniphyllum oldhamii

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stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Daphniphyllum pentandrum

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stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Identifiers

InChI

InChI=1S/C30H47NO3/c1-19(2)21-9-13-27(4)20-8-15-29-12-6-7-22(29)30(27,25(21)31(29)17-20)16-10-23(32)26(3)18-33-28(5)14-11-24(26)34-28/h19-22,24-25H,6-18H2,1-5H3

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InChIKey

REKWVHVBDQXQLB-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

REKWVHVBDQXQLB-UHFFFAOYSA-N

1 reference

(Q105234931)

1-[(1S,4S,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1R,2S,3R,10R,13R,14S)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.0^{2,13.0^{3,7.0^{7,12]hexadecan-2-yl]propan-1-one

Statements

Identifiers

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