(Q115971344)

English

(3R,4aR,5S,6R,8aS)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(Benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

452.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

15,16-epoxy-8alpha-(benzoyloxy)methyl-2R-hydroxycleroda-3,13(16),14-trien-18-oic acid, (rel)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₆

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canonical SMILES

O=C(O)C1=CC(O)CC2C1(C)CCC(COC(=O)C=3C=CC=CC3)C2(C)CCC4=COC=C4

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isomeric SMILES

C[C@@]1(CCc2ccoc2)[C@H](COC(=O)c2ccccc2)CC[C@]2(C)C(C(=O)O)=C[C@H](O)C[C@H]12

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found in taxon

Dodonaea polyandra

1 reference

stated in

In Vivo Activity of Benzoyl Ester Clerodane Diterpenoid Derivatives fromDodonaea polyandra

Identifiers

InChI

InChI=1S/C27H32O6/c1-26(11-8-18-10-13-32-16-18)20(17-33-25(31)19-6-4-3-5-7-19)9-12-27(2)22(24(29)30)14-21(28)15-23(26)27/h3-7,10,13-14,16,20-21,23,28H,8-9,11-12,15,17H2,1-2H3,(H,29,30)/t20-,21-,23+,26+,27+/m0/s1

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InChIKey

KRLNRFUNUIQBKJ-BSMIGITPSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KRLNRFUNUIQBKJ-BSMIGITPSA-N

1 reference

(Q115971344)

(3R,4aR,5S,6R,8aS)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

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Identifiers

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