(Q104403528)

English

(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetrakis(acetyloxy)-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2,9,11,16-Tetraacetyloxy-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

672.278191468 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,3S,5R,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetrakis(acetyloxy)-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₁₃

0 references

canonical SMILES

O=C(OC1C2=C(C)C(O)CC2(C(OC(=O)C)C3C4(OC(=O)C)COC4CC(OC(=O)C)C3(C)C1OC(=O)C)C(O)(C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@]12C

0 references

found in taxon

Taxus cuspidata

4 references

stated in

A taxoid from the needles of the Japanese yew, Taxus cuspidata

stated in

Bioactive Taxoids from Japanese Yew Taxus cuspidata and Taxol Biosynthesis

stated in

A taxoid from the needles of the Japanese yew, Taxus cuspidata

stated in

New minor taxanes analogues from the needles of Taxus canadenis

Taxus baccata

2 references

stated in

Why the yew tree (Taxus Baccata) is not attacked by insects

stated in

Lignans, biflavones and taxoids from Himalayan Taxus baccata

Taxus wallichiana

1 reference

stated in

Taxanes from Taxus Yunnanensis

Identifiers

InChI

InChI=1S/C35H44O13/c1-17-23(40)15-34(32(6,7)42)26(17)27(47-31(41)22-12-10-9-11-13-22)29(45-19(3)37)33(8)24(44-18(2)36)14-25-35(16-43-25,48-21(5)39)28(33)30(34)46-20(4)38/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35-/m0/s1

0 references

InChIKey

IKDVXNASCSGIHM-SZBOGCPYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104403528)

(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,9,11,16-tetrakis(acetyloxy)-5-hydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate

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Identifiers

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