Mrv0541 04141510292D          

 26 30  0  0  0  0            999 V2000
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    1.8559  -16.6956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4426  -17.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434  -15.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434  -16.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619  -15.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714  -15.4599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5731  -16.2896    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2855  -16.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036  -16.2866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2821  -15.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9986  -15.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091  -15.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7131  -14.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011  -13.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805  -14.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5639  -14.6301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4321  -13.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1446  -14.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4344  -12.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6280  -17.1075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0038  -12.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196  -15.8154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385  -15.9085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7772  -16.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553  -13.7480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0  0  0  0
  2  8  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  7 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  8 21  1  6  0  0  0
 15 22  1  0  0  0  0
  2  1  1  6  0  0  0
  3 23  1  0  0  0  0
 23 17  1  0  0  0  0
  3  2  1  0  0  0  0
 10 24  1  0  0  0  0
 24 17  1  0  0  0  0
  4  5  1  0  0  0  0
 10 25  1  1  0  0  0
  4  6  1  0  0  0  0
 17 26  1  1  0  0  0
M  END
> <ID>
CHEBI:70559

> <NAME>
(-)-(4S,5S,7S,10R,20S)-7,12,18-trihydroxyabieta-8,11,13-trien-20-aldehyde 7,18,20-acetal

> <DEFINITION>
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.

> <STAR>
3

> <SYNONYM>
(7alpha,20S)-7,20:18,20-diepoxyabieta-8,11,13-trien-12-ol

> <IUPAC_NAME>
(5S,6aS,9S,12aR,13S)-9-methyl-3-(propan-2-yl)-9,10,11,12-tetrahydro-5H,6aH,8H-9,12a,5-(ethane[1,1,2]triyl)oxocino[2,3-c][2]benzopyran-2-ol

> <FORMULA>
C20H26O3

> <MASS>
314.41860

> <MONOISOTOPIC_MASS>
314.18819

> <CHARGE>
0

> <SMILES>
CC(C)c1cc2[C@@H]3C[C@H]4[C@]5(C)CCC[C@]4([C@@H](OC5)O3)c2cc1O

> <INCHI>
InChI=1S/C20H26O3/c1-11(2)12-7-13-14(8-15(12)21)20-6-4-5-19(3)10-22-18(20)23-16(13)9-17(19)20/h7-8,11,16-18,21H,4-6,9-10H2,1-3H3/t16-,17-,18+,19+,20-/m0/s1

> <INCHIKEY>
PNHPVNJXLPYREE-OMZCGLGVSA-N

> <PUBMED_CITATION>
20961093

$$$$