(Q105150828)

English

(2R)-2-[(1R)-1-hydroxy-1-[(8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[1-hydroxy-1-(14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-2H-cyclopenta[a]phenanthren-17-yl)ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

454.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-2-[(1R)-1-hydroxy-1-[(8R,9S,10R,13R,14R,17S)-14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₅

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2CCC3(O)C4CC=C5C=CCC(=O)C5(C)C4CCC23C

0 references

isomeric SMILES

CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1

0 references

found in taxon

Withania coagulans

1 reference

stated in

Immunosuppressive withanolides from Withania coagulans

Identifiers

InChI

InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28-/m0/s1

0 references

InChIKey

LEVWMALVAZUERI-XXMWMNJKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEVWMALVAZUERI-XXMWMNJKSA-N

(Q105150828)

(2R)-2-[(1R)-1-hydroxy-1-[(8R,9S,10R,13R,14S,17S)-14-hydroxy-10,13-dimethyl-1-oxo-7,8,9,11,12,15,16,17-octahydro-2H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one

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