(Q105386379)

English

methyl (1S,4S,5S,6S,9S,10R,13R)-5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

414.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₄

0 references

canonical SMILES

O=C(OC1CCC2(C)C(CCC34CC(=C)C(CCC32)C4)C1(C(=O)OC)C)C=C(C)C

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isomeric SMILES

C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)[C@@H](OC(=O)C=C(C)C)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3

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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/C26H38O4/c1-16(2)13-22(27)30-21-10-11-24(4)19(25(21,5)23(28)29-6)9-12-26-14-17(3)18(15-26)7-8-20(24)26/h13,18-21H,3,7-12,14-15H2,1-2,4-6H3/t18-,19+,20+,21+,24-,25+,26-/m1/s1

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InChIKey

ZYSFUPUEWMTDAO-WKKHQSPKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYSFUPUEWMTDAO-WKKHQSPKSA-N

(Q105386379)

methyl (1S,4S,5S,6S,9S,10R,13R)-5,9-dimethyl-6-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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