(Q104999539)

English

[(1R,2R,3S,4R,5S,6S,8S,10S,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3,4,6,11-Tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

696.278191468 dalton

1 reference

1 reference

C₃₇H₄₄O₁₃

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canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3CC(=O)C4(OCC3(C)C4(O)C(OC(=O)C)C(OC(=O)C)C2(C)C(OC(=O)C)C1)C)C=CC=5C=CC=CC5

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isomeric SMILES

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@@]3(C)OC[C@]1(C)[C@@]3(O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O

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found in taxon

Taxus wallichiana

1 reference

stated in

A taxane-11,12-oxide from Taxus yunnanensis

Identifiers

InChI

InChI=1S/C37H44O13/c1-19-26(50-29(43)15-14-24-12-10-9-11-13-24)17-28(46-20(2)38)35(7)30(19)31(47-21(3)39)25-16-27(42)36(8)37(44,34(25,6)18-45-36)33(49-23(5)41)32(35)48-22(4)40/h9-15,25-26,28,30-33,44H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28-,30+,31+,32-,33-,34-,35+,36+,37-/m0/s1

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InChIKey

FQCUWQFKTUBVLA-OTJQMRTISA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104999539)

[(1R,2R,3S,4R,5S,6S,8S,10S,11R,12R,15S)-3,4,6,11-tetraacetyloxy-2-hydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-8-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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