(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (Q27163322)

Spectrum_001060 (English)

9 October 2016

chemical formula

C₂₀H₂₄O₂

1 reference

Spectrum_001060 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

1 reference

Spectrum_001060 (English)

9 October 2016

isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

1 reference

Spectrum_001060 (English)

InChI=1S/C20H24O2/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/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16?,17?,18?,19-,20-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Spectrum_001060 (English)

BFPYWIDHMRZLRN-OQPPHWFISA-N

9 October 2016

InChIKey

2 references

Spectrum_001060 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

Spectrum_001060 (English)

matched by identifier from

9 October 2016

InChIKey

BFPYWIDHMRZLRN-OQPPHWFISA-N

ChEBI ID

91483

mapping relation type

2 references

(13S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (English)