Marvin  08211310522D          

 22 25  0  0  0  0            999 V2000
   -2.8170   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -1.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1048   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3927   -0.5584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3917   -1.3834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6806   -1.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0340   -1.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827   -0.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318   -0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471   -0.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0297    1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    0.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8127    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4047    0.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3959   -2.2044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607   -0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588   -1.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -0.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7002   -2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  1  2  1  0  0  0  0
 12 13  1  0  0  0  0
  1  4  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  2  3  1  0  0  0  0
  5 15  1  1  0  0  0
  5  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  6  0  0  0
  7  8  1  0  0  0  0
 11 18  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
  3  6  1  0  0  0  0
 18 20  1  0  0  0  0
  5  4  1  0  0  0  0
  3 21  1  0  0  0  0
  9 10  2  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <ID>
CHEBI:68290

> <NAME>
cycloinumakiol

> <DEFINITION>
An abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14 at an epoxy group across positions 11 and 17. It is isolated from Podocarpus latifolius.

> <STAR>
3

> <IUPAC_NAME>
14-(propan-2-yl)-11,17-epoxypodocarpa-8,11,13-triene

> <FORMULA>
C20H28O

> <MASS>
284.43570

> <MONOISOTOPIC_MASS>
284.21402

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCc3c(ccc4OC[C@@]1(CCCC2(C)C)c34)C(C)C

> <INCHI>
InChI=1S/C20H28O/c1-13(2)14-6-8-16-18-15(14)7-9-17-19(3,4)10-5-11-20(17,18)12-21-16/h6,8,13,17H,5,7,9-12H2,1-4H3/t17-,20+/m0/s1

> <INCHIKEY>
XNNWEJWWBGSSMR-FXAWDEMLSA-N

> <REAXYS_REGISTRY_NUMBER>
21394579

> <PUBMED_CITATION>
21306129

$$$$