(Q105300557)

English

(3S,5S)-5-[7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-[7-[5-[1,4-Dihydroxy-4-[5-(1-hydroxyundecyl)oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChIKey

mass

638.475769072 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,5R)-5-[7-[(2S,5R)-5-[(1R,4S)-1,4-dihydroxy-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,5R)-5-[7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,5R)-5-[7-[(2S,5S)-5-[(1S,4S)-1,4-dihydroxy-4-[(2R,5S)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

1 reference

based on heuristic

inferred from InChI

2,4-cis-Bullatanocinone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₈

0 references

canonical SMILES

O=C(C)CC1C(=O)OC(CCCCCCCC2OC(CC2)C(O)CCC(O)C3OC(CC3)C(O)CCCCCCCCCC)C1

0 references

isomeric SMILES

CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@H]2CC[C@@H](CCCCCCC[C@H]3C[C@@H](CC(C)=O)C(=O)O3)O2)O1

0 references

found in taxon

Annona bullata

1 reference

stated in

New cytotoxic annonaceous acetogenins: Bullatanocin and cis- and trans-Bullatanocinone, from Annona bullata (Annonaceae)

Identifiers

InChI

InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-29(43-34)16-13-10-9-11-14-17-30-26-28(25-27(2)38)37(42)44-30/h28-36,39-41H,3-26H2,1-2H3/t28-,29-,30+,31-,32+,33-,34-,35-,36-/m1/s1

0 references

InChIKey

WAZNHZWSJGMXPS-VNTGYUCWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WAZNHZWSJGMXPS-VNTGYUCWSA-N

(Q105300557)

(3S,5S)-5-[7-[(2R,5R)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]heptyl]-3-(2-oxopropyl)oxolan-2-one

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