(Q104914443)

English

(2S)-2-methyl-4-[(2R,8S,15S)-2,8,15-trihydroxy-15-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

chemical compound

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type of chemical entity

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1 reference

1 reference

(5S)-5-methyl-3-{2,8,15-trihydroxy-15-[(2R,5S)-5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl}-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

624.496504516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-methyl-4-[(2R,8R,15R)-2,8,15-trihydroxy-15-[(2R,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,8R,15R)-2,8,15-trihydroxy-15-[(2R,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-2-methyl-4-[(2R,8R,15R)-2,8,15-trihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2S,8S,15R)-2,8,15-trihydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

(2R)-2-methyl-4-[(2R,8S,15R)-2,8,15-trihydroxy-15-[(2S,5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₈O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC(O)CCCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@@H](O)[C@@H]1CC[C@@H]([C@@H](O)CCCCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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found in taxon

Annona montana

1 reference

stated in

Montacin and cis-montacin, two new cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona montana.

Annona muricata

1 reference

stated in

New cytotoxic monotetrahydrofuran annonaceous acetogenins from Annona muricata

Identifiers

InChI

InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-18-23-33(40)35-25-26-36(44-35)34(41)24-19-13-12-15-20-31(38)21-16-14-17-22-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31-,32+,33+,34-,35-,36-/m0/s1

0 references

InChIKey

ALYPJDVVTYTPDW-KBMGHAPNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104914443)

(2S)-2-methyl-4-[(2R,8S,15S)-2,8,15-trihydroxy-15-[(2S,5S)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

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