(Q105144117)

English

[(1R,2R,4S,7S,8S,11R,12R,13R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate

chemical compound

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type of chemical entity

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1 reference

[(1R,2R,8S,11S,12R,18S)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

514.220282668 dalton

1 reference

1 reference

C₂₈H₃₄O₉

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canonical SMILES

O=C(OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC534)C6=COC=C6)C12C)C

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isomeric SMILES

CC(=O)O[C@@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]543)[C@@]12C

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found in taxon

Citrus hanaju

1 reference

stated in

Limonoids in seeds of Citrus hanaju

Identifiers

InChI

InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19-,21+,22-,25+,26-,27+,28-/m1/s1

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InChIKey

KPDOJFFZKAUIOE-HNABCYPOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KPDOJFFZKAUIOE-HNABCYPOSA-N

1 reference

(Q105144117)

[(1R,2R,4S,7S,8S,11R,12R,13R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate

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