(Q105248983)

English

2-[(16R)-16-[(2S,3S,4S,5R)-2-acetyloxy-5-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxyheptadecyl]-6-hydroxybenzoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[16-[2-Acetyloxy-5-[3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxyheptadecyl]-6-hydroxybenzoic acid

1 reference

based on heuristic

inferred from SMILES

mass

816.414350588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(16S)-16-[(2R,3R,4S,5R)-2-acetyloxy-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxyheptadecyl]-6-hydroxybenzoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₆₄O₁₇

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canonical SMILES

O=C(O)C=1C(O)=CC=CC1CCCCCCCCCCCCCCCC(OC(=O)C(OC(=O)C)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2OC(=O)C)CO)C

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isomeric SMILES

CC(=O)O[C@H](C(=O)O[C@H](C)CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC(C)=O

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found in taxon

Vitreoporus dichrous

1 reference

stated in

Caloporoside, a new inhibitor of phospholipases C from Caloporus dichrous (Fr.) Ryv

Identifiers

InChI

InChI=1S/C40H64O17/c1-24(18-15-13-11-9-7-5-4-6-8-10-12-14-16-19-27-20-17-21-28(45)31(27)38(50)51)53-39(52)36(54-25(2)43)34(48)32(46)29(22-41)56-40-37(55-26(3)44)35(49)33(47)30(23-42)57-40/h17,20-21,24,29-30,32-37,40-42,45-49H,4-16,18-19,22-23H2,1-3H3,(H,50,51)/t24-,29-,30-,32-,33-,34+,35+,36+,37+,40-/m1/s1

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InChIKey

SANKFKFXZIBMQR-UUVDLOBISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105248983)

2-[(16R)-16-[(2S,3S,4S,5R)-2-acetyloxy-5-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,6-trihydroxyhexanoyl]oxyheptadecyl]-6-hydroxybenzoic acid

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