(Q105150731)

English

methyl (1S,4S,5S,6S,9R,10R,13R,15S)-6,10-dihydroxy-5,9-dimethyl-15-(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

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subclass of

Methyl 6,10-dihydroxy-5,9-dimethyl-15-(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

446.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₆

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canonical SMILES

O=C(OC1C(=C)C2CCC3(O)C4(C)CCC(O)C(C(=O)OC)(C)C4CCC13C2)C=C(C)C

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isomeric SMILES

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

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found in taxon

Ichthyothere terminalis

1 reference

stated in

New melampolides, kaurene derivatives and other constituents from Ichthyothere species

Identifiers

InChI

InChI=1S/C26H38O6/c1-15(2)13-20(28)32-21-16(3)17-7-12-26(30)23(4)10-9-19(27)24(5,22(29)31-6)18(23)8-11-25(21,26)14-17/h13,17-19,21,27,30H,3,7-12,14H2,1-2,4-6H3/t17-,18+,19+,21+,23-,24+,25+,26-/m1/s1

0 references

InChIKey

LEQJYYGJVJWNPF-MXQCRGKBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105150731)

methyl (1S,4S,5S,6S,9R,10R,13R,15S)-6,10-dihydroxy-5,9-dimethyl-15-(3-methylbut-2-enoyloxy)-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Statements

Identifiers

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