(Q105183893)

English

[(2R,3R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₅H₄₄O₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

608.298532988 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₄O₉

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canonical SMILES

O=C(OC1C(=C)C2C(O)C3CC(OC(=O)C)C(=C(C(OC(=O)C)C(OC(=O)C)C2(C)CC1)C3(C)C)C)C=CC=4C=CC=CC4

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isomeric SMILES

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)C1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C

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found in taxon

Taxus cuspidata

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stated in

Taxuspines X-Z, New Taxoids from Japanese Yew Taxus cuspidata.

Taxus wallichiana

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stated in

Dantaxusins C and D, two novel taxoids from Taxus yunnanensis.

Identifiers

InChI

InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25?,26-,27-,29-,31+,32+,33-,35+/m0/s1

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InChIKey

NQINDQGQJLIYFL-FIZZLDPSSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

NQINDQGQJLIYFL-FIZZLDPSSA-N

1 reference

(Q105183893)

[(2R,3R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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