(Q104667883)

English

3-[(1R,2R,5S,6R,7R,8S,10S,11R,14S)-8-hydroxy-11-[(2S)-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

chemical compound

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instance of

type of chemical entity

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subclass of

3-[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

1 reference

based on heuristic

inferred from SMILES

mass

522.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₁₁

0 references

canonical SMILES

O=C(O)CCC1(C)C(CC(=O)C2(C)C1C(O)CC3(C)C(OC(=O)C4OC423)C5=CC(O)OC5=O)C(O)(C)C

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isomeric SMILES

CC(C)(O)[C@H]1CC(=O)[C@]2(C)[C@H]([C@@H](O)C[C@@]3(C)[C@H](C4=C[C@@H](O)OC4=O)OC(=O)[C@H]4O[C@]432)[C@@]1(C)CCC(=O)O

0 references

found in taxon

Clausena excavata

1 reference

stated in

Tetranortriterpenoids fromClausena excavata

Identifiers

InChI

InChI=1S/C26H34O11/c1-22(2,34)13-9-14(28)25(5)17(23(13,3)7-6-15(29)30)12(27)10-24(4)18(11-8-16(31)35-20(11)32)36-21(33)19-26(24,25)37-19/h8,12-13,16-19,27,31,34H,6-7,9-10H2,1-5H3,(H,29,30)/t12-,13+,16-,17+,18-,19+,23-,24-,25+,26+/m0/s1

0 references

InChIKey

DBHWMJJMTLXCEO-FCXOTAGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBHWMJJMTLXCEO-FCXOTAGZSA-N

(Q104667883)

3-[(1R,2R,5S,6R,7R,8S,10S,11R,14S)-8-hydroxy-11-[(2S)-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

Statements

Identifiers

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