(Q104914597)

English

methyl (1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-15-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5,9-dimethyl-14-methylidene-15-(3-phenylprop-2-enoyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

462.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₄

0 references

canonical SMILES

O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)OC)(C)C4CCC13C2)C=CC=5C=CC=CC5

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isomeric SMILES

C=C1[C@H](OC(=O)/C=C/c2ccccc2)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@H]1C3

0 references

found in taxon

Wedelia triloba

1 reference

stated in

Neuen kaurensaure-derivate aus Wedelia-arten

Sphagneticola trilobata

1 reference

stated in

Neuen kaurensaure-derivate aus Wedelia-arten

Identifiers

InChI

InChI=1S/C30H38O4/c1-20-22-12-13-24-28(2)16-8-17-29(3,27(32)33-4)23(28)15-18-30(24,19-22)26(20)34-25(31)14-11-21-9-6-5-7-10-21/h5-7,9-11,14,22-24,26H,1,8,12-13,15-19H2,2-4H3/b14-11+/t22-,23+,24+,26+,28-,29-,30-/m1/s1

0 references

InChIKey

AMFHWGGSQTVPJL-KITXCXISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AMFHWGGSQTVPJL-KITXCXISSA-N

(Q104914597)

methyl (1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-15-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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