(Q104984835)

English

(4aS,5S,6S,8aS)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-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]-5,8a-dimethyl-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

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

15,16-epoxy-8alpha-(benzoyloxy)methylcleroda-3,13(16)14-trien-18-oic acid, (rel)-

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₇H₃₂O₅

0 references

canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(COC(=O)C=3C=CC=CC3)C2(C)CCC4=COC=C4

0 references

isomeric SMILES

C[C@]12CC[C@H](COC(=O)c3ccccc3)[C@@](C)(CCc3ccoc3)[C@@H]1CCC=C2C(=O)O

0 references

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/c1-26(14-11-19-13-16-31-17-19)21(18-32-25(30)20-7-4-3-5-8-20)12-15-27(2)22(24(28)29)9-6-10-23(26)27/h3-5,7-9,13,16-17,21,23H,6,10-12,14-15,18H2,1-2H3,(H,28,29)/t21-,23+,26-,27-/m1/s1

0 references

InChIKey

DLXCJIWTYVKNPT-BFDUNJCPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DLXCJIWTYVKNPT-BFDUNJCPSA-N

(Q104984835)

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

Statements

Identifiers

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