(Q105192655)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

610.262541404 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂O₁₃

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canonical SMILES

O=C(OC1C(=C2C(O)C(OC(=O)C)C3(C)C(OC(=O)C)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@]4(CO4)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](O)C(=C1C)C2(C)C

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found in taxon

Taxus canadensis

1 reference

stated in

New taxanes from the needles of Taxus canadensis

Identifiers

InChI

InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,25(42-17(5)34)23(36)22(13)27(30,7)8)20(40-15(3)32)10-21(41-16(4)33)29(24)12-38-29/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1

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InChIKey

OIPHRISUKOUZRO-IVYORAKTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OIPHRISUKOUZRO-IVYORAKTSA-N

1 reference

(Q105192655)

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

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Identifiers

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