(Q105157634)

English

[(1'R,2S,2'R,3'S,5'R,7'R,8'R,9'S,10'S,13'R)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1'S,2R,3'S,8'S)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

652.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1'S,2R,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',7',9',10'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

(1'S,2S,2'S,3'R,5'S,7'R,8'S,9'R,10'R,13'R)-2',5',9',10',13'-pentakis(acetyloxy)-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-7'-yl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₁₄

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canonical SMILES

O=C(OC1C(=C2C(OC(=O)C)C(OC(=O)C)C3(C)C(OC(=O)C)CC(OC(=O)C)C4(OC4)C3C(OC(=O)C)C(O)(C1)C2(C)C)C)C

0 references

isomeric SMILES

CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@](O)([C@H](OC(C)=O)[C@H]3[C@]4(CO4)[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]3(C)[C@@H]1OC(C)=O)C2(C)C

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found in taxon

Taxus wallichiana

1 reference

stated in

Taxanes from the needles of Taxus wallichiana

Identifiers

InChI

InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)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+/m1/s1

0 references

InChIKey

LUTPIRPNUNHFEV-HQMFGXMMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUTPIRPNUNHFEV-HQMFGXMMSA-N

(Q105157634)

[(1'R,2S,2'R,3'S,5'R,7'R,8'R,9'S,10'S,13'R)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl] acetate

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Identifiers

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