(Q105250999)

English

[2,5,6-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

group of stereoisomers with the chemical formula C₃₃H₄₂O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

598.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₂O₁₀

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canonical SMILES

O=C(OC1C2=C(C)C(OC(=O)C)CC2(CC3C(=C)C(O)CC(OC(=O)C)C3(C)C1OC(=O)C)C(O)(C)C)C=4C=CC=CC4

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found in taxon

Taxus wallichiana

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stated in

Taxanes from the needles of Taxus wallichiana

stated in

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

Taxus brevifolia

1 reference

stated in

Phenylbutanoid and taxane-like metabolites from needles of Taxus brevifolia

Identifiers

InChI

InChI=1S/C33H42O10/c1-17-23-15-33(31(6,7)39)16-25(40-19(3)34)18(2)27(33)28(43-30(38)22-12-10-9-11-13-22)29(42-21(5)36)32(23,8)26(14-24(17)37)41-20(4)35/h9-13,23-26,28-29,37,39H,1,14-16H2,2-8H3

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InChIKey

SEBLWMWBTMFYAH-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SEBLWMWBTMFYAH-UHFFFAOYSA-N

(Q105250999)

[2,5,6-triacetyloxy-8-hydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate

Statements

Identifiers

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