(Q105120755)

English

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

group of stereoisomers with the chemical formula C₄₂H₄₈O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

776.304406216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₈O₁₄

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canonical SMILES

O=C(OC1C2=C(C)C(OC(=O)C)CC2(C(OC(=O)C=3C=CC=CC3)C4C5(OC(=O)C)COC5CC(OC(=O)C)C4(C)C1OC(=O)C)C(O)(C)C)C=6C=CC=CC6

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found in taxon

Taxus brevifolia

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stated in

Taxanes from rooted cuttings of Taxus canadensis

Identifiers

InChI

InChI=1S/C42H48O14/c1-22-29(51-23(2)43)20-41(39(6,7)49)32(22)33(54-37(47)27-15-11-9-12-16-27)35(53-25(4)45)40(8)30(52-24(3)44)19-31-42(21-50-31,56-26(5)46)34(40)36(41)55-38(48)28-17-13-10-14-18-28/h9-18,29-31,33-36,49H,19-21H2,1-8H3

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InChIKey

IUPNQIBOKXONOJ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUPNQIBOKXONOJ-UHFFFAOYSA-N

(Q105120755)

[5,9,11,16-Tetraacetyloxy-2-benzoyloxy-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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