(Q105297773)

English

[(1S,3R,5S,6aS,7R,8R,10S,10aR)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1,3-Diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

554.251582796 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₈O₉

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canonical SMILES

O=C(OC1C=C2C(OC(=O)C)OC(OC(=O)C)C23C(O)CC(C)C(C)(CCC(=C)C=C)C3C1)C4=CC=C(O)C=C4

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isomeric SMILES

C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)C[C@H]1C

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found in taxon

Licania intrapetiolaris

1 reference

stated in

Bioactive Constituents of the Roots ofLicaniaintrapetiolaris

Hymenopus intrapetiolaris

1 reference

stated in

Bioactive Constituents of the Roots ofLicaniaintrapetiolaris

Identifiers

InChI

InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(35)31-24(28(37-19(4)32)40-29(31)38-20(5)33)15-23(16-25(30)31)39-27(36)21-8-10-22(34)11-9-21/h7-11,15,18,23,25-26,28-29,34-35H,1-2,12-14,16H2,3-6H3/t18-,23-,25+,26+,28+,29-,30-,31+/m1/s1

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InChIKey

VVPBNSGOLQBLTJ-NBQVFILYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105297773)

[(1S,3R,5S,6aS,7R,8R,10S,10aR)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxybenzoate

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Identifiers

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