Ketcher 05251517392D 1   1.00000     0.00000     0

 26 29  0     1  0            999 V2000
   -2.0641    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510   -0.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5339    0.7624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    2.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7961   -1.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1981   -2.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -2.7376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 17  8  1  0     0  0
 14 16  1  0     0  0
 16  9  1  0     0  0
 12  7  1  0     0  0
  6 12  1  0     0  0
 12 14  1  0     0  0
 14  5  1  0     0  0
 24  6  1  0     0  0
  6 11  1  1     0  0
  6  1  1  0     0  0
 10 20  1  0     0  0
  7  8  1  0     0  0
 10  9  1  0     0  0
  4  5  1  0     0  0
 24  3  1  0     0  0
 24  4  1  0     0  0
  2  1  1  0     0  0
 22  3  1  0     0  0
 22  2  1  0     0  0
 12 13  1  6     0  0
 14 15  1  1     0  0
 16 19  1  6     0  0
 17 18  1  1     0  0
 20 21  1  1     0  0
 22 23  1  1     0  0
 24 25  1  6     0  0
  4 26  1  6     0  0
M  END
> <ID>
CHEBI:85809

> <NAME>
5alpha-androstane-3beta,6alpha,17beta-triol

> <DEFINITION>
A 3β sterol that is 5α-androstane which is substituted by β-hydroxy groups at positions 3 and 17 and by an α-hydroxy group at position 6.

> <STAR>
3

> <SYNONYM>
5alpha-androstane-3beta,6alpha,17beta-triol; 3beta,6alpha,17beta-trihydroxy-5alpha-androstane; (3beta,5alpha,6alpha,17beta)-androstane-3,7,17-triol

> <IUPAC_NAME>
5alpha-androstane-3beta,6alpha,17beta-triol

> <FORMULA>
C19H32O3

> <MASS>
308.45560

> <MONOISOTOPIC_MASS>
308.23514

> <CHARGE>
0

> <SMILES>
C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O

> <INCHI>
InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,16-,17-,18+,19-/m0/s1

> <INCHIKEY>
OFAZPSYXUKIJIK-JGRZZSDMSA-N

> <CAS_REGISTRY_NUMBER>
49644-04-4

> <CHEMIDPLUS>
49644-04-4

> <PUBMED_CITATION>
494365

$$$$