(Q104247064)

English

(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

taxoids

0 references

mass

652.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-2,4,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₁₄

0 references

canonical SMILES

O=C(OC1C(=C2C(OC(=O)C)C(OC(=O)C)C3(C)C(OC(=O)C)CC4OCC4(OC(=O)C)C3C(OC(=O)C)C(O)(C1)C2(C)C)C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C

0 references

found in taxon

Taxus canadensis

1 reference

stated in

Taxanes from rooted cuttings of Taxus canadensis

Taxus sumatrana

1 reference

stated in

Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester

Taxus baccata

4 references

stated in

A Brief Survey of Taxus Alkaloids and Other Taxane Derivatives

stated in

A yew in Israel, new taxane derivatives

stated in

Taxanes from the Seeds of Taxus baccata

stated in

A Yew in Israel, New Taxane Derivatives

Taxus wallichiana

5 references

stated in

Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester

stated in

A New Taxane Diterpene fromTaxus yunnanensis

stated in

DPPH radical scavenging and nitric oxide inhibitory activities of the constituents from the wood of Taxus yunnanensis

stated in

Analysis of taxol and major taxoids in Himalayan yew, Taxus wallichiana

stated in

The taxoid constituents of the roots of Taxus wallichiana

Taxus

1 reference

stated in

Taxoids from the Roots of Taxus × media cv. Hicksii

Taxus

1 reference

stated in

Taxoids from the Roots of Taxus × media cv. Hicksii

Identifiers

InChI

InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(45-19(6)37)26-30(10,22(42-16(3)34)11-23-31(26,13-40-23)46-20(7)38)27(44-18(5)36)25(43-17(4)35)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23+,25+,26-,27-,28-,30+,31-,32+/m0/s1

0 references

InChIKey

CCJGGIKEFAWREN-WBPIOOJSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

MassBank accession ID

MSBNK-RIKEN_ReSpect-PM000828

1 reference

InChIKey

CCJGGIKEFAWREN-WBPIOOJSSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

(Q104247064)

(1S,2S,3R,4S,7R,9S,10S,11R,12R,15S)-2,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate

Statements

Identifiers

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