(Q105207660)

English

[(1S,4R,7R,9R,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 3-methylbut-2-enoate

chemical compound

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Statements

type of chemical entity

0 references

[14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C(OC1C(=O)C(C)(C)C2CCC34CC(CCC3C2(C)C1)C(O)(CO)C4)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C(C)(C)C1=O)C[C@]4(O)CO

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Plectranthus ambiguus

1 reference

Phyllocladanes (13β-kauranes) from Plectranthus ambiguus

Identifiers

InChI=1S/C25H38O5/c1-15(2)10-20(27)30-17-12-23(5)18(22(3,4)21(17)28)8-9-24-11-16(6-7-19(23)24)25(29,13-24)14-26/h10,16-19,26,29H,6-9,11-14H2,1-5H3/t16-,17-,18+,19-,23+,24+,25+/m1/s1

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PFDDHGHYPYBSLT-CPDMMCATSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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