(Q105160607)

English

Rolliniastatin 1

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

4-[(13R)-2,13-dihydroxy-13-[(2R)-5-[(5R)-5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

(2R)-4-[(2S,13S)-2,13-dihydroxy-13-[(5R)-5-[(2R,5S)-5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-4-[(2S,13S)-2,13-dihydroxy-13-[(2R,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChIKey

CID 9960731

2 references

based on heuristic

inferred from InChIKey

1 reference

(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(2S,13S)-2,13-dihydroxy-13-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(2S,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-4-[(2S,13S)-2,13-dihydroxy-13-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one

1 reference

1 reference

1 reference

MBABCNBNDNGODA-YNHIWHQRSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC(O)C2OC(CC2)C3OC(CC3)C(O)CCCCCCCCCC)C

0 references

isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@@H]1CC[C@H]([C@H]2CC[C@@H]([C@@H](O)CCCCCCCCCC[C@H](O)CC3=C[C@@H](C)OC3=O)O2)O1

0 references

found in taxon

Annona reticulata

1 reference

stated in

Squamocin and Rolliniastatin I from the Seeds of Annona reticulata

Annona mucosa

1 reference

stated in

Isolation and structure of rolliniastatin 1 from the South American tree Rollinia mucosa

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30 ,31-,32 ,33 ,34 ,35-,36-/m1/s1

0 references

InChIKey

MBABCNBNDNGODA-JLWJZSOHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105160607)

Rolliniastatin 1

Statements

Identifiers

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