(Q105272044)

English

[(5R,6R,7S,8R,9R,10R,13S,17R)-6-hydroxy-17-[(2S)-2-hydroxy-5-oxo-2H-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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instance of

type of chemical entity

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subclass of

[(5R,6R,7S,8R,9R,10R,13S,17R)-6-hydroxy-17-(2-hydroxy-5-oxo-2H-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

5-hydroxy-1-(2-hydroxy-5-oxo-2H-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

based on heuristic

inferred from SMILES

mass

484.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(5S,6R,7S,8R,9S,10R,13S,17R)-6-hydroxy-17-[(2S)-2-hydroxy-5-oxo-2H-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

C₂₈H₃₆O₇

0 references

canonical SMILES

O=C1OC(O)C(=C1)C2CC=C3C2(C)CCC4C5(C=CC(=O)C(C)(C)C5C(O)C(OC(=O)C)C34C)C

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isomeric SMILES

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

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found in taxon

Azadirachta indica

1 reference

stated in

Two new insect growth regulator meliacins from Azadirachta indica A. Juss (meliaceae)

Identifiers

InChI

InChI=1S/C28H36O7/c1-14(29)34-23-21(32)22-25(2,3)19(30)10-12-27(22,5)18-9-11-26(4)16(7-8-17(26)28(18,23)6)15-13-20(31)35-24(15)33/h8,10,12-13,16,18,21-24,32-33H,7,9,11H2,1-6H3/t16-,18+,21+,22-,23+,24-,26-,27+,28-/m0/s1

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InChIKey

UFRCPJTWTQCCQS-GDKJRGGXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFRCPJTWTQCCQS-GDKJRGGXSA-N

(Q105272044)

[(5R,6R,7S,8R,9R,10R,13S,17R)-6-hydroxy-17-[(2S)-2-hydroxy-5-oxo-2H-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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