(Q105365916)

English

[(1R,2R,3E,5S,7S,8S,13S)-2,7,13-triacetyloxy-8,12,15,15-tetramethyl-9,10-dioxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,7,13-Triacetyloxy-8,12,15,15-tetramethyl-9,10-dioxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

620.26214748 dalton

1 reference

1 reference

C₃₅H₄₀O₁₀

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canonical SMILES

O=C(OC1C2=CC(OC(=O)C)C3CC(OC(=O)C)C(=C(C(=O)C(=O)C(C)(C2)C(OC(=O)C)C1)C3(C)C)C)C=CC=4C=CC=CC4

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isomeric SMILES

CC(=O)O[C@H]1C[C@H]2[C@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)C(=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)/C=C/c1ccccc1

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found in taxon

Taxus wallichiana

1 reference

stated in

Dantaxusins A and B, two new taxoids from Taxus yunnanensis.

Identifiers

InChI

InChI=1S/C35H40O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28+,29-,35-/m0/s1

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InChIKey

YVSSEWCMPIXNDO-YZDGTUHKSA-N

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2 references

10 May 2023

inferred from InChIKey

matched by identifier from

InChIKey

YVSSEWCMPIXNDO-YZDGTUHKSA-N

(Q105365916)

[(1R,2R,3E,5S,7S,8S,13S)-2,7,13-triacetyloxy-8,12,15,15-tetramethyl-9,10-dioxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (E)-3-phenylprop-2-enoate

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