(Q105228584)

English

[(1S,2S,3R,4S,7R,9S,10S)-4-acetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12,15-trioxo-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

540.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₂O₁₀

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canonical SMILES

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

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isomeric SMILES

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

Taxus wallichiana

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stated in

Three new taxane diterpenoids from Taxus sumatrana.

Identifiers

InChI

InChI=1S/C29H32O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,18-19,22,24,32,36H,11-13H2,1-5H3/t18-,19+,22-,24-,27+,28-,29+/m0/s1

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InChIKey

QVDGHPMALHVSBN-WTLWSZCSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVDGHPMALHVSBN-WTLWSZCSSA-N

1 reference

(Q105228584)

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

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Identifiers

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