(Q104962188)

English

[(1S,2S,6S,7S,9R,13S,14R,16S,17S)-4-methoxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Methoxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

418.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₇

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canonical SMILES

O=C(OC1C(=O)C(C)C2CC(=O)OC3CC4C(C=C(OC)C(=O)C4(C)C1C32C)C)C

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isomeric SMILES

COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)C(=O)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C

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found in taxon

Quassia amara

1 reference

stated in

Quassinoids from Quassia amara

Identifiers

InChI

InChI=1S/C23H30O7/c1-10-7-15(28-6)21(27)23(5)13(10)8-16-22(4)14(9-17(25)30-16)11(2)18(26)19(20(22)23)29-12(3)24/h7,10-11,13-14,16,19-20H,8-9H2,1-6H3/t10-,11-,13+,14+,16-,19-,20+,22-,23+/m1/s1

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InChIKey

CKDWRWJBBHJXCH-QJYZNWFDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKDWRWJBBHJXCH-QJYZNWFDSA-N

(Q104962188)

[(1S,2S,6S,7S,9R,13S,14R,16S,17S)-4-methoxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate

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