(Q105214367)

English

(3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,8S,10S,11R,14S)-8-hydroxy-11-(2-hydroxy-5-oxo-2H-furan-4-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid

group of stereoisomers with the chemical formula C₂₈H₃₆O₁₃

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Statements

instance of

group of stereoisomers

0 references

1 reference

580.215591212 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₃

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canonical SMILES

O=C1OC(O)C=C1C2OC(=O)C3OC34C5(C(=O)CC(C(O)(C)C)C(C)(C(OC(=O)C)CC(=O)O)C5C(O)CC24C)C

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isomeric SMILES

CC(=O)O[C@@H](CC(=O)O)[C@@]1(C)[C@H](C(C)(C)O)CC(=O)[C@]2(C)[C@@H]1[C@@H](O)C[C@@]1(C)[C@H](C3=CC(O)OC3=O)OC(=O)[C@H]3O[C@]312

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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/C28H36O13/c1-11(29)38-16(9-17(32)33)26(5)14(24(2,3)37)8-15(31)27(6)19(26)13(30)10-25(4)20(12-7-18(34)39-22(12)35)40-23(36)21-28(25,27)41-21/h7,13-14,16,18-21,30,34,37H,8-10H2,1-6H3,(H,32,33)/t13-,14-,16-,18?,19+,20-,21+,25-,26+,27+,28+/m0/s1

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InChIKey

PSRRBQNQNUSXQW-NBBRXVECSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSRRBQNQNUSXQW-NBBRXVECSA-N

1 reference

(Q105214367)

(3S)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,8S,10S,11R,14S)-8-hydroxy-11-(2-hydroxy-5-oxo-2H-furan-4-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid

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Identifiers

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