(Q105159226)

English

1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3R,7R,10S,11S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadecan-2-yl]propan-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

469.355594364 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₇NO₃

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canonical SMILES

O=C(CCC12C3NC4C(CCC54CCCC51)C2(C)CCC3C(C)C)C6(C)COC7(OC6CC7)C

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isomeric SMILES

CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCC[C@H]4[C@@]2(CCC(=O)[C@]2(C)CO[C@@]4(C)CC[C@@H]2O4)[C@H]1N[C@@H]35

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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

Daphniphyllum subverticillatum

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stated in

Alkaloids from the leaves of Daphniphyllum subverticillatum

Identifiers

InChI

InChI=1S/C30H47NO3/c1-18(2)19-8-13-27(4)20-9-15-29-12-6-7-21(29)30(27,24(19)31-25(20)29)16-10-22(32)26(3)17-33-28(5)14-11-23(26)34-28/h18-21,23-25,31H,6-17H2,1-5H3/t19-,20-,21-,23+,24+,25+,26+,27+,28-,29-,30+/m1/s1

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InChIKey

LYCPGVYCDLJBAA-XTRLBNNASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYCPGVYCDLJBAA-XTRLBNNASA-N

(Q105159226)

1-[(1R,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-4-yl]-3-[(1S,2R,3R,7R,10S,11S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,11]hexadecan-2-yl]propan-1-one

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Identifiers

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