Mrv0541 07081411482D          

 23 25  0  0  1  0            999 V2000
    0.0000   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 14  1  6  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6 12  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  1  8  1  0  0  0  0
  9  6  1  0  0  0  0
  2  9  1  0  0  0  0
  9 13  1  0  0  0  0
  1 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 17 11  1  0  0  0  0
 13 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 15  1  1  0  0  0
 15 16  2  0  0  0  0
 17 18  1  6  0  0  0
  4 21  1  6  0  0  0
  1 22  1  1  0  0  0
  9 23  1  1  0  0  0
M  END
> <ID>
CHEBI:78255

> <NAME>
3alpha-hydroxy-ent-sandaracopimaradiene

> <DEFINITION>
A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3α-position.

> <STAR>
3

> <SYNONYM>
ent-sandaracopimaradien-3beta-ol

> <IUPAC_NAME>
(3alpha,5beta,9beta,10alpha)-pimara-8(14),15-dien-3-ol

> <FORMULA>
C20H32O

> <MASS>
288.46750

> <MONOISOTOPIC_MASS>
288.24532

> <CHARGE>
0

> <SMILES>
CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C)C=C3CC[C@H]12

> <INCHI>
InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,13,15-17,21H,1,7-12H2,2-5H3/t15-,16-,17-,19-,20+/m1/s1

> <INCHIKEY>
ATQOOBSXQVRQPY-GNVJSZRZSA-N

> <REAXYS_REGISTRY_NUMBER>
5276845

> <METACYC_ACCESSION>
CPD-16610

> <PUBMED_CITATION>
23795884

$$$$