(Q104955152)

English

[(1S,2R,5R,6S,10R,11R,14R)-5,10-dihydroxy-2,6-dimethyl-9,13-dioxo-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecan-14-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5,10-Dihydroxy-2,6-dimethyl-9,13-dioxo-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecan-14-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

416.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄O₈

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canonical SMILES

O=C(OC1C(=O)OC2CC13C(C)CCC3(O)C4(C)COC(=O)C24O)C=5C=CC=CC5

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isomeric SMILES

C[C@@H]1CC[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3OC(=O)c1ccccc1)[C@@]1(O)C(=O)OC[C@]12C

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found in taxon

Illicium angustisepalum

1 reference

stated in

A prezizaane sesquiterpene from Illicium angustisepalum

Identifiers

InChI

InChI=1S/C22H24O8/c1-12-8-9-21(26)19(2)11-28-18(25)22(19,27)14-10-20(12,21)15(17(24)29-14)30-16(23)13-6-4-3-5-7-13/h3-7,12,14-15,26-27H,8-11H2,1-2H3/t12-,14-,15+,19+,20+,21+,22-/m1/s1

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InChIKey

CDSYOSGDCPHTBK-KJTQCIAISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDSYOSGDCPHTBK-KJTQCIAISA-N

(Q104955152)

[(1S,2R,5R,6S,10R,11R,14R)-5,10-dihydroxy-2,6-dimethyl-9,13-dioxo-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecan-14-yl] benzoate

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Identifiers

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