(Q105161437)

English

[(E)-5-[(4aR,5S,8aS)-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

In more languages

Statements

type of chemical entity

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348.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₆O₃

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canonical SMILES

O=C(OCC=C(C)CCC1=C(C)CCC2C1(C)CCCC2(C)CO)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CCC1=C(C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C

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Araucaria cunninghamii

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New diterpenes from Araucaria cunninghami

Identifiers

InChI=1S/C22H36O3/c1-16(11-14-25-18(3)24)7-9-19-17(2)8-10-20-21(4,15-23)12-6-13-22(19,20)5/h11,20,23H,6-10,12-15H2,1-5H3/b16-11+/t20-,21+,22+/m0/s1

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MCTLHBSXZUSYKL-ZIXGRAFBSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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