(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde (Q27166986)

k-Strophanthidin (English)

10 October 2016

chemical formula

C₂₃H₃₂O₆

1 reference

k-Strophanthidin (English)

10 October 2016

canonical SMILES

CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O

1 reference

k-Strophanthidin (English)

10 October 2016

isomeric SMILES

C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O

1 reference

k-Strophanthidin (English)

InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16?,17?,18?,20+,21-,22-,23-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

k-Strophanthidin (English)

ODJLBQGVINUMMR-VJHNTTCYSA-N

10 October 2016

InChIKey

2 references

k-Strophanthidin (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,5beta,8xi,9xi,17xi)-3,5,14-Trihydroxy-19-oxocard-20(22)-enolide (English)

10 October 2016

2 references

k-Strophanthidin (English)

matched by identifier from

10 October 2016

InChIKey

ODJLBQGVINUMMR-VJHNTTCYSA-N

ChEBI ID

95181

mapping relation type

2 references

(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde (English)