(Q104399855)

English

[(5R,6S,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(6S,8R,10R,13R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate

1 reference

based on heuristic

inferred from SMILES

5-(acetyloxy)-1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,4H,5H,5aH,9bH,10H,11H-cyclopenta[a]phenanthren-4-yl acetate

1 reference

1 reference

494.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(5S,6R,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(5R,6S,7S,8R,9R,10R,13R,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

6alpha-Acetoxyazadirone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₆

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C2(C3=CCC(C4=COC=C4)C3(C)CCC2C5(C=CC(=O)C(C)(C)C15)C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12

0 references

found in taxon

Chisocheton siamensis

1 reference

stated in

Antimalarial, antimycobacterial and cytotoxic limonoids from Chisocheton siamensis

Identifiers

InChI

InChI=1S/C30H38O6/c1-17(31)35-24-25-27(3,4)23(33)11-14-29(25,6)22-10-13-28(5)20(19-12-15-34-16-19)8-9-21(28)30(22,7)26(24)36-18(2)32/h9,11-12,14-16,20,22,24-26H,8,10,13H2,1-7H3/t20-,22+,24-,25-,26+,28-,29+,30-/m0/s1

0 references

InChIKey

VFSQXYZMHUBVJU-NHOFSNDZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VFSQXYZMHUBVJU-NHOFSNDZSA-N

1 reference

(Q104399855)

[(5R,6S,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-6-yl] acetate

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