(Q105223246)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

486.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CC(O)C3(O)C4CC=C5C=CCC(=O)C5(C)C4CCC23C

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isomeric SMILES

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

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found in taxon

Withania coagulans

1 reference

stated in

Immunosuppressive withanolides from Withania coagulans

Identifiers

InChI

InChI=1S/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)27(33)14-21(30)28(34)19-10-9-17-7-6-8-20(29)25(17,4)18(19)11-12-24(27,28)3/h6-7,9,18-19,21-22,30,32-34H,8,10-14H2,1-5H3/t18-,19+,21-,22+,24+,25-,26-,27-,28-/m0/s1

0 references

InChIKey

QKOOJURCARFMON-VLXOZLMASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QKOOJURCARFMON-VLXOZLMASA-N

(Q105223246)

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

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Identifiers

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