(Q105219953)

English

[(1R,2R,4S,7R,8S,10S,11R,12R,13S,18R)-10-hydroxy-7-(2-hydroxy-5-oxo-2H-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

group of stereoisomers with the chemical formula C₂₈H₃₄O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

562.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₁₂

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canonical SMILES

O=C1OC(O)C(=C1)C2OC(=O)C3OC34C5(C(=O)CC6C(OC(=O)CC(OC(=O)C)C6(C)C5C(O)CC24C)(C)C)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]([C@@H](O)C[C@@]4(C)[C@H](C5=CC(=O)OC5O)OC(=O)[C@H]5O[C@]543)[C@@]12C

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found in taxon

Clausena emarginata

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stated in

A,D-seco-limonoids from the stems of Clausena emarginata

Identifiers

InChI

InChI=1S/C28H34O12/c1-11(29)36-16-9-18(33)39-24(2,3)14-8-15(31)27(6)19(26(14,16)5)13(30)10-25(4)20(12-7-17(32)37-22(12)34)38-23(35)21-28(25,27)40-21/h7,13-14,16,19-22,30,34H,8-10H2,1-6H3/t13-,14-,16-,19+,20-,21+,22?,25-,26+,27+,28+/m0/s1

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InChIKey

QGDFSEAUGUCXGE-IJFIHTIESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QGDFSEAUGUCXGE-IJFIHTIESA-N

1 reference

(Q105219953)

[(1R,2R,4S,7R,8S,10S,11R,12R,13S,18R)-10-hydroxy-7-(2-hydroxy-5-oxo-2H-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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Identifiers

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