Mrv0541 02231220302D          

 24 27  0  0  1  0            999 V2000
   24.5528   -6.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5528   -7.2818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.2672   -7.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9817   -7.2818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.9817   -6.4568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.2672   -6.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6962   -7.6943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4107   -7.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4107   -6.4568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.6962   -6.0443    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.1251   -6.0443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.1251   -5.2193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.4107   -4.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6962   -5.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9097   -6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3947   -5.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9097   -4.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8382   -7.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2113   -4.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6962   -6.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9817   -5.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4107   -5.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2113   -6.8648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0014   -8.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
 12 19  1  1  0  0  0
 10 20  1  6  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 11 23  1  6  0  0  0
  4 24  1  6  0  0  0
M  END
> <DATABASE_ID>
BMDB0005830

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

> <INCHI_KEY>
DJTOLSNIKJIDFF-LOVVWNRFSA-N

> <FORMULA>
C19H32O

> <MOLECULAR_WEIGHT>
276.4568

> <EXACT_MASS>
276.245315646

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
34.534901820737886

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2S,5S,7S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol

> <ALOGPS_LOGP>
5.01

> <JCHEM_LOGP>
4.434567898

> <ALOGPS_LOGS>
-6.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.296396321121705

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3569562491413656

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
83.11569999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.35e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5α-androstan-3β-ol

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0005830

> <GENERIC_NAME>
5a-Androstan-3b-ol

> <SYNONYMS>
(3.beta.,5.alpha.)-Androstan-3-ol; (3b)-Androstan-3-ol; (3b,5a)-Androstan-3-ol; (3beta)-Androstan-3-ol; (3beta,5alpha)-Androstan-3-ol; 3.beta.-Hydroxy-5.alpha.-androstane; 3b-Hydroxy-5a-androstane; 5.alpha.-Androstan-3.beta.-ol; 5alpha-Androstan-3beta-ol; androstan-3-ol

$$$$