(Q104247061)

English

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

group of stereoisomers with the chemical formula C₃₇H₄₆O₁₄

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Statements

instance of

group of stereoisomers

0 references

1 reference

714.288756152 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₆O₁₄

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canonical SMILES

O=C(OC1C2C3(OC(=O)C)COC3CC(OC(=O)C)C2(C)C(OC(=O)C)C(OC(=O)C)C4=C(C)C(OC(=O)C)CC1(O)C4(C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC1C[C@@]2(O)C(OC(=O)c3ccccc3)[C@@H]3[C@@](C)(C(OC(C)=O)C[C@@H]4OC[C@]43OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C

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found in taxon

Taxus baccata

1 reference

stated in

Relationships between the structures of taxol and baccatine III derivatives and their in vitro action on the disassembly of mammalian brain and Physarum amoebal microtubules

Taxus

1 reference

stated in

Chemistry and occurrence of taxane derivatives. Part 16. Rearranged taxoids from Taxus×media Rehd. cv Hicksii. X-Ray molecular structure of 9-O-benzoyl-9,10-dide-O-acetyl-11(15 → 1)abeo-baccatin VI

Taxus

1 reference

stated in

Chemistry and occurrence of taxane derivatives. Part 16. Rearranged taxoids from Taxus×media Rehd. cv Hicksii. X-Ray molecular structure of 9-O-benzoyl-9,10-dide-O-acetyl-11(15 → 1)abeo-baccatin VI

Identifiers

InChI

InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25?,26?,27-,29?,30+,31?,32?,35+,36-,37+/m0/s1

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InChIKey

UJFKTEIDORFVQS-ADBURYJBSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104247061)

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

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Identifiers

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