17beta-Methylestra-1,3,5(10)-trien-3-ol (Q27148651)

CHEBI:79543 (English)

8 October 2016

chemical formula

C₁₉H₂₆O

1 reference

CHEBI:79543 (English)

8 October 2016

canonical SMILES

CC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

1 reference

CHEBI:79543 (English)

8 October 2016

isomeric SMILES

C[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C

1 reference

CHEBI:79543 (English)

InChI=1S/C19H26O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11-12,16-18,20H,3-4,6,8-10H2,1-2H3/t12-,16+,17+,18-,19+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:79543 (English)

SVEOBRKOIXNDIJ-DQDQBAQVSA-N

8 October 2016

InChIKey

2 references

CHEBI:79543 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

17beta-Methylestra-1,3,5(10)-trien-3-ol (English)

8 October 2016

2 references

CHEBI:79543 (English)

matched by identifier from

8 October 2016

InChIKey

SVEOBRKOIXNDIJ-DQDQBAQVSA-N

ChEBI ID

79543

mapping relation type

2 references

17beta-Methylestra-1,3,5(10)-trien-3-ol (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H26O/c1-12-3-8-18-17-6-4-13-11-14(20)5-7-15(13)16(17)9-10-19(12,18)2/h5,7,11-12,16-18,20H,3-4,6,8-10H2,1-2H3/t12-,16+,17+,18-,19+/m0/s1

1 reference

CHEMBL1627855 (English)

8 October 2016

1 reference

1 reference

17beta-Methylestra-1,3,5(10)-trien-3-ol (English)