(Q105186438)

English

[(1S,3R,5R,6aS,7R,8R,10S,10aR)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

chemical compound

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type of chemical entity

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subclass of

[1,3,5-Triacetyloxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

1 reference

1 reference

596.26214748 dalton

1 reference

1 reference

1 reference

[(1S,3S,5R,6aR,7S,8S,10R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₀O₁₀

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canonical SMILES

O=C(OC1CC(C)C(C)(CC=C(C=C)C)C2CC(OC(=O)C)C=C3C(OC(=O)C)OC(OC(=O)C)C312)C4=CC=C(O)C=C4

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isomeric SMILES

C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](OC(=O)c2ccc(O)cc2)C[C@H]1C

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found in taxon

Casearia arborea

1 reference

stated in

Novel cytotoxic diterpenes from Casearia arborea.

Identifiers

InChI

InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25+,27+,28+,30+,31-,32-,33+/m1/s1

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InChIKey

NVVFTAMNEDAOEH-WYASHJPOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVVFTAMNEDAOEH-WYASHJPOSA-N

(Q105186438)

[(1S,3R,5R,6aS,7R,8R,10S,10aR)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate

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