(Q105188960)

English

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

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

452.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₅

0 references

canonical SMILES

O=C1OC(CC(=C1C)C)C(C)C2(O)CCC3=C4CC=C5C(O)C=CC(=O)C5(C)C4CCC32C

0 references

isomeric SMILES

CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@@]2(O)CCC3=C4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

0 references

found in taxon

Withania somnifera

1 reference

stated in

The withanolides of Withania somnifera chemotypes I and II

Identifiers

InChI

InChI=1S/C28H36O5/c1-15-14-23(33-25(31)16(15)2)17(3)28(32)13-11-19-18-6-7-21-22(29)8-9-24(30)27(21,5)20(18)10-12-26(19,28)4/h7-9,17,20,22-23,29,32H,6,10-14H2,1-5H3/t17-,20+,22+,23+,26+,27-,28+/m1/s1

0 references

InChIKey

OBDQWQCFPJHUIL-NLQXTNLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OBDQWQCFPJHUIL-NLQXTNLWSA-N

(Q105188960)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)