Marvin  01091311372D          

 21 23  0  0  0  0            999 V2000
   11.1000   -7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6913   -6.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2779   -7.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821   -5.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821   -6.3489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6950   -5.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4078   -5.5229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4088   -6.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207   -6.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8360   -6.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1186   -5.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8307   -5.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5436   -5.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5506   -4.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8385   -3.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1194   -4.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4004   -4.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2670   -6.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8441   -3.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2688   -3.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5523   -6.7581    0.0000 O   0  0  0  0  0  0  0  0  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
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  8  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  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  1  0  0  0
  2  1  1  0  0  0  0
  5 18  1  1  0  0  0
  3  2  1  0  0  0  0
 15 19  1  0  0  0  0
  7 11  1  0  0  0  0
 14 20  1  0  0  0  0
  8  9  2  0  0  0  0
 10 21  2  0  0  0  0
M  END
> <ID>
CHEBI:65781

> <NAME>
3beta,12-dihydroxy-13-methyl-5,8,11,13-podocarpatetraene-7-one

> <DEFINITION>
A diterpenoid that is podocarpa-5,8,11,13-tetraen-7-one substituted by hydroxy groups at positions 3 and 12 and a methyl group at position 13 (the 3β stereoisomer). Isolated from Securinega suffruticosa, it exhibits antineoplastic activity.

> <STAR>
3

> <IUPAC_NAME>
(3beta)-3,12-dihydroxy-13-methylpodocarpa-5,8,11,13-tetraen-7-one

> <FORMULA>
C18H22O3

> <MASS>
286.36550

> <MONOISOTOPIC_MASS>
286.15689

> <CHARGE>
0

> <SMILES>
Cc1cc2C(=O)C=C3C(C)(C)[C@@H](O)CC[C@]3(C)c2cc1O

> <INCHI>
InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3/t16-,18+/m0/s1

> <INCHIKEY>
XKTPGZPMUGPQQP-FUHWJXTLSA-N

> <REAXYS_REGISTRY_NUMBER>
10278373

> <PUBMED_CITATION>
16327202

$$$$