(Q105255981)

English

[(1R,5R,6S,8S,9S,10S,13S,14R,15S)-8-hydroxy-10-methyl-14-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] (2R,3S)-3-hydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[8-Hydroxy-10-methyl-14-(2-methylbut-2-enoyloxy)-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] 3-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

476.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₉

0 references

canonical SMILES

O=C(OC1C2OC(=O)C3(C)C1CC45C2=COC(OC(=O)C(C)C(O)C)C5CC(O)C34)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1[C@H]2OC(=O)[C@@]3(C)[C@@H]1C[C@]14C2=CO[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]1C[C@H](O)[C@H]34

0 references

found in taxon

Trixis grisebachii

1 reference

stated in

Trixanolide and germacratriene derivatives from Trixis grisebachii

Identifiers

InChI

InChI=1S/C25H32O9/c1-6-10(2)20(28)32-17-14-8-25-13-7-16(27)19(25)24(14,5)23(30)33-18(17)15(25)9-31-22(13)34-21(29)11(3)12(4)26/h6,9,11-14,16-19,22,26-27H,7-8H2,1-5H3/b10-6-/t11-,12+,13-,14-,16+,17-,18+,19-,22-,24+,25-/m1/s1

0 references

InChIKey

SMKHURCHQAAFHG-DSFPCPNSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMKHURCHQAAFHG-DSFPCPNSSA-N

(Q105255981)

[(1R,5R,6S,8S,9S,10S,13S,14R,15S)-8-hydroxy-10-methyl-14-[(Z)-2-methylbut-2-enoyl]oxy-11-oxo-4,12-dioxapentacyclo[7.7.0.01,6.02,13.010,15]hexadec-2-en-5-yl] (2R,3S)-3-hydroxy-2-methylbutanoate

Statements

Identifiers

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