(Q105344215)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

452.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₅

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canonical SMILES

O=C(OC1CC2C3(C=CC(=O)C(C)(C)C3CC(O)C2(C4=CCC(C5=COC=C5)C41C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]2(C)C2=CC[C@@H](c3ccoc3)[C@@]21C

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found in taxon

Turraea pubescens

1 reference

stated in

Bioactive limonoid and triterpenoid constituents of Turraea pubescens

Identifiers

InChI

InChI=1S/C28H36O5/c1-16(29)33-24-14-21-26(4)11-9-22(30)25(2,3)20(26)13-23(31)28(21,6)19-8-7-18(27(19,24)5)17-10-12-32-15-17/h8-12,15,18,20-21,23-24,31H,7,13-14H2,1-6H3/t18-,20-,21+,23+,24-,26-,27-,28-/m0/s1

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InChIKey

XXVAKMOPFKOKNJ-FTEJKVAVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXVAKMOPFKOKNJ-FTEJKVAVSA-N

1 reference

(Q105344215)

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

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Identifiers

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