(Q105149751)

English

[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

taxoids

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mass

560.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₁₁

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canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(CO)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

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found in taxon

Taxus sumatrana

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stated in

Three new taxane diterpenoids from Taxus sumatrana.

stated in

Three new taxane diterpenoids from Taxus sumatrana.

Taxus wallichiana

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stated in

Three new taxane diterpenoids from Taxus sumatrana.

stated in

Three new taxane diterpenoids from Taxus sumatrana.

Identifiers

InChI

InChI=1S/C29H36O11/c1-14-17(32)11-29(37)24(39-25(36)16-8-6-5-7-9-16)22-27(12-30,23(35)21(34)20(14)26(29,3)4)18(33)10-19-28(22,13-38-19)40-15(2)31/h5-9,17-19,21-22,24,30,32-34,37H,10-13H2,1-4H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1

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InChIKey

LCBRTOBUIDCSID-ZHPRIASZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LCBRTOBUIDCSID-ZHPRIASZSA-N

1 reference

(Q105149751)

[(1S,2S,3R,4S,7R,9S,10R,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Statements

Identifiers

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