(Q105298063)

English

[5,6-diacetyloxy-2,8-dihydroxy-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 C₃₁H₄₀O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

556.2672328599998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₀O₉

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canonical SMILES

O=C(OC1C2=C(C)C(O)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

The taxoid constituents of the heartwood of Taxus wallichiana

Taxus brevifolia

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stated in

Taxuspines E ∼ H and J, new taxoids from the Japanese yew Taxus cuspidata

Identifiers

InChI

InChI=1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3

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InChIKey

VWGCDYGRSUJYGJ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWGCDYGRSUJYGJ-UHFFFAOYSA-N

(Q105298063)

[5,6-diacetyloxy-2,8-dihydroxy-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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