(Q105184940)

English

[(2R,3S,4aS,11bR)-3-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(3-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

414.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₆

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canonical SMILES

O=C(OC1CC2(C=3C=C4OC=CC4=C(C3CCC2(O)C(C)(C)C1OC(=O)C)C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)c3cc4occc4c(C)c3CC[C@@]2(O)C1(C)C

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found in taxon

Caesalpinia crista

1 reference

stated in

Constituents of Caesalpinia crista from Indonesia

Identifiers

InChI

InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)21(30-15(3)26)20(29-14(2)25)12-23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21-,23-,24-/m1/s1

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InChIKey

NSAZUFNXZWNEIG-LUGTWXOSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NSAZUFNXZWNEIG-LUGTWXOSSA-N

(Q105184940)

[(2R,3S,4aS,11bR)-3-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

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