(Q105306920)

English

[(1'S,2R,2'S,3'R,5'R,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2',10',13'-Triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

568.25197672 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

4,20-Epoxy-2alpha,5alpha,10beta,13alpha-tetraacetoxy-1,7beta,9alpha-trihydroxytaxa-11-ene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₀O₁₂

0 references

canonical SMILES

O=C(OC1C(=C2C(OC(=O)C)C(O)C3(C)C(O)CC(OC(=O)C)C4(OC4)C3C(OC(=O)C)C(O)(C1)C2(C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@H]3[C@@](C)([C@@H](O)C[C@@H](OC(C)=O)[C@]34CO4)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C

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found in taxon

Taxus canadensis

1 reference

stated in

Taxus canadensis taxanes: structures and stereochemistry

Identifiers

InChI

InChI=1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27+,28+/m0/s1

0 references

InChIKey

WJMBBODKITXTJA-ZMMYSGIYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105306920)

[(1'S,2R,2'S,3'R,5'R,7'S,8'S,9'R,10'R,13'S)-2',10',13'-triacetyloxy-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-5'-yl] acetate

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