(Q105276079)

English

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

group of stereoisomers with the chemical formula C₃₃H₄₂O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

630.267626784 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₁₂

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canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(OC(=O)C)C2(C)C(OC(=O)C)C(O)C4=C(C)C(O)CC41C(O)(C)C)C=5C=CC=CC5

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found in taxon

Taxus wallichiana

2 references

stated in

MS/MS profiling of taxoids from the needles of Taxus wallichiana

stated in

Taxoids from the barks of Taxus wallichiana

Identifiers

InChI

InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3

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InChIKey

UNOXUAXKYZZGRD-UHFFFAOYSA-N

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2 references

6 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

UNOXUAXKYZZGRD-UHFFFAOYSA-N

(Q105276079)

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

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Identifiers

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