(Q105368136)

English

[(1R,2R,10S,11S,12S,13R,15R)-12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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1 reference

(12-Acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) 3-(3,4-dimethoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

497.277737968 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₉NO₆

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canonical SMILES

O=C(OC1C(OC(=O)C)C2CC(C)CC34N(CCCC13)CCCC24)C=CC5=CC=C(OC)C(OC)=C5

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isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H]3C[C@@H](C)C[C@@]45[C@@H]2CCCN4CCC[C@H]35)cc1OC

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found in taxon

Huperzia miyoshiana

2 references

stated in

Lyconesidines A–C, new alkaloids from Lycopodium chinense

stated in

Lyconesidines A–C, new alkaloids from Lycopodium chinense

Selaginella delicatula

1 reference

stated in

Lyconesidines A–C, new alkaloids from Lycopodium chinense

Identifiers

InChI

InChI=1S/C29H39NO6/c1-18-15-21-22-7-5-13-30-14-6-8-23(29(22,30)17-18)28(27(21)35-19(2)31)36-26(32)12-10-20-9-11-24(33-3)25(16-20)34-4/h9-12,16,18,21-23,27-28H,5-8,13-15,17H2,1-4H3/b12-10+/t18-,21-,22-,23-,27+,28+,29-/m1/s1

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InChIKey

YXTDBFCJIWOCAS-YQZXNNIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YXTDBFCJIWOCAS-YQZXNNIUSA-N

1 reference

(Q105368136)

[(1R,2R,10S,11S,12S,13R,15R)-12-acetyloxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Statements

Identifiers

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