(Q105235355)

English

3-[(2S,3R,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(3R,4Z,6E,8R,10R,12S,14E,16Z,18E,20R)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-2-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

1 reference

3-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,14E,16E,18E)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

700.455033628 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3R,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(3R,4Z,6Z,8R,10R,12S,14E,16Z,18E,20R)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₄O₉

0 references

canonical SMILES

O=C1OC(=CC(O)=C1C2OC(CO)CC(O)C2O)C(C)(C)C(O)C=CC(=CC(CO)CC(C)CC(C)CC(=CC=CC(=CC(C)CC)C)C)C

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isomeric SMILES

CC[C@@H](C)/C=C(C)/C=C\C=C(/C)C[C@@H](C)C[C@@H](C)C[C@H](/C=C(C)/C=C\[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@H]2O)c(=O)o1)CO

0 references

found in taxon

Dactylaria parvispora

1 reference

stated in

Dactylfungins, novel antifungal antibiotics produced by Dactylaria parvispora

Identifiers

InChI

InChI=1S/C41H64O9/c1-10-25(2)16-26(3)12-11-13-27(4)17-29(6)18-30(7)20-31(23-42)19-28(5)14-15-35(46)41(8,9)36-22-33(44)37(40(48)50-36)39-38(47)34(45)21-32(24-43)49-39/h11-16,19,22,25,29-32,34-35,38-39,42-47H,10,17-18,20-21,23-24H2,1-9H3/b12-11-,15-14-,26-16+,27-13+,28-19+/t25-,29-,30-,31+,32-,34-,35-,38-,39+/m1/s1

0 references

InChIKey

RFFNWAQLYUMOFF-CJKMCHLFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RFFNWAQLYUMOFF-CJKMCHLFSA-N

(Q105235355)

3-[(2S,3R,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(3R,4Z,6E,8R,10R,12S,14E,16Z,18E,20R)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-2-one

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