Ketcher 08151611402D 1   1.00000     0.00000     0

 18 19  0     1  0            999 V2000
   15.5936   -5.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5936   -6.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7225   -5.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7225   -7.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8515   -5.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8515   -6.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5501   -5.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1412   -6.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5501   -7.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2254   -8.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2196   -8.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8610   -8.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8448   -8.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1556   -9.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5178   -7.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5950   -4.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7226   -4.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5950   -7.7309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  7  1  1  0     0  0
  2  1  1  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
  9  8  1  0     0  0
  4 10  1  1     0  0
 11  4  1  0     0  0
  9 12  1  6     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
  1 16  1  1     0  0
  3 17  1  1     0  0
  2 18  1  6     0  0
M  END
> <ID>
CHEBI:132901

> <NAME>
(+)-homalomenol B

> <DEFINITION>
A sesquiterpenoid that is (+)-homalomenol A in which the double bond of the 2-methylpropen-1-yl group has migrated from the 1-2 position to the 2-3 position.

> <STAR>
3

> <SYNONYM>
homalomenol B

> <IUPAC_NAME>
(1R,3aR,4R,7S,7aR)-3a,7-dimethyl-1-(2-methylprop-2-en-1-yl)octahydro-1H-indene-4,7-diol

> <FORMULA>
C15H26O2

> <MASS>
238.366

> <MONOISOTOPIC_MASS>
238.19328

> <CHARGE>
0

> <SMILES>
[C@@]12([C@@H](CC[C@@]([C@@]1([C@H](CC2)CC(C)=C)[H])(O)C)O)C

> <INCHI>
InChI=1S/C15H26O2/c1-10(2)9-11-5-7-14(3)12(16)6-8-15(4,17)13(11)14/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15+/m1/s1

> <INCHIKEY>
PECCCWAOADXQBC-ZSAUSMIDSA-N

> <CAS_REGISTRY_NUMBER>
145400-04-0

> <REAXYS_REGISTRY_NUMBER>
5810044

> <CHEMIDPLUS>
145400-04-0

> <PUBMED_CITATION>
1368861

$$$$