(Q115971510)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

436.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

15,16-epoxy-2alpha-benzoyloxycleroda-3,13(16),14-trien-18-oic acid, (rel)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₅

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canonical SMILES

O=C(O)C1=CC(OC(=O)C=2C=CC=CC2)CC3C1(C)CCC(C)C3(C)CCC4=COC=C4

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isomeric SMILES

C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@H](OC(=O)c3ccccc3)C[C@@H]2[C@]1(C)CCc1ccoc1

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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/C27H32O5/c1-18-9-12-27(3)22(24(28)29)15-21(32-25(30)20-7-5-4-6-8-20)16-23(27)26(18,2)13-10-19-11-14-31-17-19/h4-8,11,14-15,17-18,21,23H,9-10,12-13,16H2,1-3H3,(H,28,29)/t18-,21+,23-,26-,27-/m1/s1

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InChIKey

FHFVNFYWYHLICU-SFVPZOOPSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

FHFVNFYWYHLICU-SFVPZOOPSA-N

1 reference

(Q115971510)

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

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