(Q105143994)

English

[(1S,2S,3E,5S,7S,8R,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

641.319996704 dalton

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1 reference

C₃₅H₄₇NO₁₀

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canonical SMILES

O=C(OC1C=C2CC(C(=O)C(O)C3=C(C)C(OC(=O)C)CC1C3(C)C)(C)C(O)CC2OC(=O)C(O)C(C=4C=CC=CC4)N(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@H](OC(C)=O)/C=C3\C[C@@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)N(C)C

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found in taxon

Taxus baccata

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stated in

Pseudoalkaloid taxanes from Taxus baccata

Identifiers

InChI

InChI=1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24+,25+,26+,27+,29+,30-,31-,35-/m1/s1

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InChIKey

KOTXAHKUCAQPQA-CBBMDTEMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KOTXAHKUCAQPQA-CBBMDTEMSA-N

(Q105143994)

[(1S,2S,3E,5S,7S,8R,10R,13S)-2,13-diacetyloxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2R,3S)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

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