(Q105026764)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-[1-Hydroxy-1-(4,5,17-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,9,11,12,15,16-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

stereoisomer of

(2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,9S,10R,13S,17S)-4,5,17-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,9,11,12,15,16-octahydrocyclopenta[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

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₇

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(O)(C)C2(O)CCC3=C4CCC5(O)C(O)C=CC(=O)C5(C)C4CCC32C

0 references

isomeric SMILES

CC1=C(C)C(=O)O[C@H]([C@](C)(O)[C@@]2(O)CCC3=C4CC[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

0 references

found in taxon

Physalis angulata

1 reference

stated in

Isolation, structures, and structure - cytotoxic activity relationships of withanolides and physalins from Physalis angulata

Identifiers

InChI

InChI=1S/C28H38O7/c1-15-14-22(35-23(31)16(15)2)26(5,32)28(34)13-10-18-17-8-12-27(33)21(30)7-6-20(29)25(27,4)19(17)9-11-24(18,28)3/h6-7,19,21-22,30,32-34H,8-14H2,1-5H3/t19-,21-,22-,24-,25-,26-,27-,28+/m0/s1

0 references

InChIKey

HEDJQUGJAAFDJP-PTMRVWSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEDJQUGJAAFDJP-PTMRVWSSSA-N

(Q105026764)

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

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