(Q105344028)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

436.261359632 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₄

0 references

canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(=CCC4C5=COC=C5)C13C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]21C

0 references

found in taxon

Azadirachta indica

1 reference

stated in

Limonoids of biogenetic interest from Melia azadirachta L.

Identifiers

InChI

InChI=1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21-,22-,24+,26-,27-,28+/m0/s1

0 references

InChIKey

XXIKKMLIDXLAIK-LLZOGBJJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXIKKMLIDXLAIK-LLZOGBJJSA-N

(Q105344028)

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

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