(Q105165378)

English

[(1S,2S,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-1,2-dihydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5,7,9,10,13-Pentaacetyloxy-1,2-dihydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

654.288756152 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₁₄

0 references

canonical SMILES

O=C(OCC1C(OC(=O)C)CC(OC(=O)C)C2(C)C(OC(=O)C)C(OC(=O)C)C3=C(C)C(OC(=O)C)CC(O)(C(O)C12)C3(C)C)C

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isomeric SMILES

CC(=O)OC[C@@H]1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@](O)([C@@H](O)[C@H]12)C3(C)C

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found in taxon

Taxus cuspidata

2 references

stated in

Effects of taxoids from Taxus cuspidata on microtubule depolymerization and vincristine accumulation in MDR cells

stated in

Taxuspines Q, R, S, and T, new taxoids from Japanese yew Taxus cuspidata

Identifiers

InChI

InChI=1S/C32H46O14/c1-14-23(43-17(4)35)12-32(40)28(39)26-21(13-41-15(2)33)22(42-16(3)34)11-24(44-18(5)36)31(26,10)29(46-20(7)38)27(45-19(6)37)25(14)30(32,8)9/h21-24,26-29,39-40H,11-13H2,1-10H3/t21-,22+,23+,24+,26+,27-,28+,29+,31-,32-/m1/s1

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InChIKey

MJFISQBJCXASCG-KUBLUVNXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105165378)

[(1S,2S,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-1,2-dihydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate

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Identifiers

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