(Q110193971)

English

[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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1 reference

434.282095076 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₃

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(=C)C=C)C=CC3=CC=C(O)C=C3

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isomeric SMILES

C=CC(=C)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)COC(=O)C=Cc1ccc(O)cc1

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found in taxon

Araucaria cunninghamii

1 reference

stated in

Labdane diterpenoids and shikimic acid derivatives from Araucaria cunninghamii

Identifiers

InChI

InChI=1S/C29H38O3/c1-6-21(2)8-15-25-22(3)9-16-26-28(4,18-7-19-29(25,26)5)20-32-27(31)17-12-23-10-13-24(30)14-11-23/h6,10-14,17,25-26,30H,1-3,7-9,15-16,18-20H2,4-5H3/t25-,26-,28+,29+/m1/s1

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InChIKey

LOUZXPCOHWEXGD-KFADFNFCSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110193971)

[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Statements

Identifiers

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