(7R,8S,9S,13S,14R,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (Q27166164)

BRD-A17828570-001-01-0 (English)

9 October 2016

chemical formula

C₃₂H₄₇F₅O₃S

1 reference

BRD-A17828570-001-01-0 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

1 reference

BRD-A17828570-001-01-0 (English)

9 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@@H]([C@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

1 reference

BRD-A17828570-001-01-0 (English)

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27-,28+,29+,30+,41?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A17828570-001-01-0 (English)

VWUXBMIQPBEWFH-SJGSXPEESA-N

9 October 2016

InChIKey

2 references

BRD-A17828570-001-01-0 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A17828570-001-01-0 (English)

matched by identifier from

9 October 2016

InChIKey

VWUXBMIQPBEWFH-SJGSXPEESA-N

ChEBI ID

94338

mapping relation type

2 references

(7R,8S,9S,13S,14R,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol (English)