(13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (Q27163314)

Spectrum_001015 (English)

9 October 2016

chemical formula

C₂₀H₂₆O₂

1 reference

Spectrum_001015 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3CCC(=O)C4

1 reference

Spectrum_001015 (English)

9 October 2016

isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4

1 reference

Spectrum_001015 (English)

InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16?,17?,18?,19-,20-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Spectrum_001015 (English)

ICTXHFFSOAJUMG-OQPPHWFISA-N

9 October 2016

InChIKey

2 references

Spectrum_001015 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8xi,9xi,14xi,17alpha)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one (English)

9 October 2016

1 reference

Spectrum_001015 (English)

9 October 2016

ChEBI ID

91476

mapping relation type

1 reference

(13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (English)

9 October 2016

1 reference