(Q105033377)

English

[(1R,2R,3R,4R,7S,9R,10R,11R,14S)-2,3,10-triacetyloxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

580.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₉

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canonical SMILES

O=C(OC1C(=C)C23C(OC(=O)C)C4CC(=O)C(C)C3(C(OC(=O)C)C(OC(=O)C)C2(C)CC1)C4(C)C)C=5C=CC=CC5

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isomeric SMILES

C=C1[C@@H](OC(=O)c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C

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found in taxon

Taxus cuspidata

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stated in

Biological activity and chemistry of taxoids from the Japanese yew, Taxus cuspidata.

Identifiers

InChI

InChI=1S/C33H40O9/c1-17-24(37)16-23-26(39-19(3)34)33-18(2)25(42-29(38)22-12-10-9-11-13-22)14-15-31(33,8)27(40-20(4)35)28(41-21(5)36)32(17,33)30(23,6)7/h9-13,17,23,25-28H,2,14-16H2,1,3-8H3/t17-,23+,25+,26-,27+,28+,31+,32-,33-/m1/s1

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InChIKey

HTDMMTFGWKAEPQ-SMRDCPINSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105033377)

[(1R,2R,3R,4R,7S,9R,10R,11R,14S)-2,3,10-triacetyloxy-4,14,15,15-tetramethyl-8-methylidene-13-oxo-7-tetracyclo[9.3.1.01,9.04,9]pentadecanyl] benzoate

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Identifiers

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