(Q72469148)

(5'R,8'S,11'R,13'S,14'S,17'S)-11'-[4-(dimethylamino)phenyl]-13'-methyl-17'-prop-1-ynylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol

inferred from SMILES

stereoisomer of

1 reference

inferred from InChI

chemical formula

C₃₁H₄₁NO₄

0 references

canonical SMILES

CC#CC1(O)CCC2C3CCC4(O)CC5(CCC4=C3C(c3ccc(N(C)C)cc3)CC21C)OCCO5

1 reference

inferred from isomeric SMILES

isomeric SMILES

CC#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(O)CC5(CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C)OCCO5

1 reference

InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24+,25-,28-,29+,30-/m0/s1

inferred from InChI

Identifiers

InChI

0 references

matched by identifier from

1 reference

0 references

1 reference

matched by identifier from

DSSTox substance ID

DTXSID101103565

1 reference

ECHA Substance Infocard database

EC number

692-980-7

1 reference

stated in

ECHA Substance Infocard ID

100.221.351

retrieved

29 December 2019

title

Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-cyclic 1,2-ethanediyl acetal,(5a,11b,17b)- (English)

quotation

CAS no.: 84371-64-2 (English)

ECHA Substance Infocard ID

100.221.351

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.221.351

retrieved

29 December 2019

title

Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-cyclic 1,2-ethanediyl acetal,(5a,11b,17b)- (English)

quotation

CAS no.: 84371-64-2 (English)

UNII

F2K6B9N6M6

1 reference

matched by identifier from