(Q105182542)

English

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₇

0 references

canonical SMILES

O=C1OC(CC(=C1CO)C)C(O)(C)C2(O)CCC3(O)C4CC=C5CC=CC(=O)C5(C)C4CCC32C

0 references

isomeric SMILES

CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

0 references

found in taxon

Withania coagulans

1 reference

stated in

Immunosuppressive withanolides from Withania coagulans

Identifiers

InChI

InChI=1S/C28H38O7/c1-16-14-22(35-23(31)18(16)15-29)26(4,32)28(34)13-12-27(33)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32-34H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26-,27+,28+/m0/s1

0 references

InChIKey

NOFNARPLYQSKHE-WEJNEFSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NOFNARPLYQSKHE-WEJNEFSASA-N

(Q105182542)

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

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