androstane-3alpha,17beta-diol (Q27102758)

CHEBI:18011 (English)

5 October 2016

chemical formula

C₁₉H₃₂O₂

1 reference

CHEBI:18011 (English)

5 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O

1 reference

CHEBI:18011 (English)

5 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4[C@@]3(CC[C@H](C4)O)C

1 reference

CHEBI:18011 (English)

InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14+,15+,16+,17+,18+,19+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

CHEBI:18011 (English)

CBMYJHIOYJEBSB-JBDJBKRMSA-N

5 October 2016

InChIKey

2 references

CHEBI:18011 (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Androstane-3a,17b-diol (English)

5 October 2016

2 references

CHEBI:18011 (English)

matched by identifier from

5 October 2016

InChIKey

CBMYJHIOYJEBSB-JBDJBKRMSA-N

Reaxys registry number

5262418

1 reference

androstane-3alpha,17beta-diol (English)

5 October 2016

ChEBI ID

18011

mapping relation type

2 references

androstane-3alpha,17beta-diol (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12?,13-,14+,15+,16+,17+,18+,19+/m1/s1

1 reference