(Q105292744)

English

(5R)-7-{[(3S,4S,2R,5R,6R)-4-((2Z,4E)-2-Methylhexa-2,4-dienoyloxy)-3-hydroxy-5-methoxy-6-methylperhydropyran-2-yloxy]methyl}-1-formyl-5-methyl-9-(methylethyl)tetracyclo[6.4.0.0<2,6>.0<7,11>]dodec-9-ene-8-carboxylic acid

group of stereoisomers with the chemical formula C₃₃H₄₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

586.314183052 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₆O₉

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canonical SMILES

O=CC12CC3C=C(C(C)C)C1(C(=O)O)C3(COC4OC(C)C(OC)C(OC(=O)C(=CC=CC)C)C4O)C5C(C)CCC52

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isomeric SMILES

C/C=C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@H](OCC23C4C=C(C(C)C)C2(C(=O)O)C(C=O)(C4)[C@@H]2CC[C@@H](C)[C@H]23)O[C@H](C)[C@H]1OC

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found in taxon

Parascedosporium putredinis

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stated in

Isolation and Characterisation of an Antifungal Antibiotic (GR135402) with Protein Synthesis Inhibition.

Identifiers

InChI

InChI=1S/C33H46O9/c1-8-9-10-19(5)28(36)42-27-25(35)29(41-20(6)26(27)39-7)40-16-32-21-13-23(17(2)3)33(32,30(37)38)31(14-21,15-34)22-12-11-18(4)24(22)32/h8-10,13,15,17-18,20-22,24-27,29,35H,11-12,14,16H2,1-7H3,(H,37,38)/b9-8+,19-10-/t18-,20-,21?,22-,24-,25+,26-,27+,29-,31?,32?,33?/m1/s1

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InChIKey

VTHNFNHGJKJDGR-ITWBHLDXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VTHNFNHGJKJDGR-ITWBHLDXSA-N

1 reference

(Q105292744)

(5R)-7-{[(3S,4S,2R,5R,6R)-4-((2Z,4E)-2-Methylhexa-2,4-dienoyloxy)-3-hydroxy-5-methoxy-6-methylperhydropyran-2-yloxy]methyl}-1-formyl-5-methyl-9-(methylethyl)tetracyclo[6.4.0.0<2,6>.0<7,11>]dodec-9-ene-8-carboxylic acid

Statements

Identifiers

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