(Q105028785)

English

[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,16-diacetyloxy-5,8,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

526.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₁₁

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canonical SMILES

O=C(OC1C(O)C2=C(C)C(O)CC2(C(OC(=O)C)C3C4(OC(=O)C)COC4CC(O)C13C)C(O)(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@@H]2[C@]3(OC(C)=O)CO[C@@H]3C[C@H](O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](O)C2=C(C)[C@@H](O)C[C@]21C(C)(C)O

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found in taxon

Taxus sumatrana

1 reference

stated in

Three new taxane diterpenoids from Taxus sumatrana.

Taxus wallichiana

1 reference

stated in

Three new taxane diterpenoids from Taxus sumatrana.

Identifiers

InChI

InChI=1S/C26H38O11/c1-11-15(30)9-25(23(5,6)33)18(11)19(32)21(35-12(2)27)24(7)16(31)8-17-26(10-34-17,37-14(4)29)20(24)22(25)36-13(3)28/h15-17,19-22,30-33H,8-10H2,1-7H3/t15-,16-,17+,19+,20-,21-,22-,24+,25-,26-/m0/s1

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InChIKey

HIDZXRZDNCXCIA-RUAUDDMISA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105028785)

[(1R,2S,3S,5S,8R,9R,10S,11S,13R,16S)-2,16-diacetyloxy-5,8,11-trihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-9-yl] acetate

Statements

Identifiers

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