(Q104971156)

English

[(1R,3S,4S,5S,7S,8S,9S,13R)-5-acetyloxy-4,7,9,13-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.01,10.03,8]hexadec-10-en-4-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Acetyloxy-4,7,9,13-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.01,10.03,8]hexadec-10-en-4-yl)methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

544.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₀

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canonical SMILES

O=C(OCC1(O)C(OC(=O)C)CC(O)C2(C)C1CC34C(=C(C)CC3O)C2(O)C(=O)OC4(C)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H](C[C@@]34C(=C(C)C[C@H]3O)[C@@]2(O)C(=O)OC4(C)C)[C@]1(O)COC(=O)c1ccccc1

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found in taxon

Taxus sumatrana

1 reference

stated in

Tasumatrols P – T, Five New Taxoids fromTaxus sumatrana

Taxus wallichiana

1 reference

stated in

Tasumatrols P – T, Five New Taxoids fromTaxus sumatrana

Identifiers

InChI

InChI=1S/C29H36O10/c1-15-11-20(32)27-13-18-26(5,29(36,22(15)27)24(34)39-25(27,3)4)19(31)12-21(38-16(2)30)28(18,35)14-37-23(33)17-9-7-6-8-10-17/h6-10,18-21,31-32,35-36H,11-14H2,1-5H3/t18-,19-,20+,21-,26-,27-,28+,29+/m0/s1

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InChIKey

CWCCCUSMNWPIFP-GVZIXZEJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWCCCUSMNWPIFP-GVZIXZEJSA-N

1 reference

(Q104971156)

[(1R,3S,4S,5S,7S,8S,9S,13R)-5-acetyloxy-4,7,9,13-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.01,10.03,8]hexadec-10-en-4-yl]methyl benzoate

Statements

Identifiers

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