3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (Q27148565)

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

8 October 2016

chemical formula

C₂₀H₃₂O₃

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

8 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3CC(C4=O)CO)C)O

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

8 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)CO)C)O

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1

8 October 2016

Identifiers

InChI

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

KQHKUOHLCRQQSG-CZUADDKVSA-N

8 October 2016

InChIKey

2 references

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

CAS (formerly Chemical Abstracts Service)

8 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

6960-00-5

1 reference

stated in

25 January 2022

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

8 October 2016

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

8 October 2016

ChEBI ID

79485

mapping relation type

2 references

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H32O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(20)23/h12-17,21-22H,3-11H2,1-2H3/t12-,13+,14+,15-,16+,17+,19+,20+/m1/s1

1 reference

1 reference

3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-one (English)