Ketcher 02261810522D 1   1.00000     0.00000     0

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    1.9272    0.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0     0  0
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  3  2  1  0     0  0
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  4  5  1  0     0  0
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  6 10  1  0     0  0
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 13  8  2  0     0  0
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 14 13  1  0     0  0
 14  9  1  6     0  0
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 18 21  1  0     0  0
 18 20  1  0     0  0
  2 23  1  6     0  0
M  END
> <ID>
CHEBI:140188

> <NAME>
2alpha-hydroxy-ent-isokaurene

> <DEFINITION>
An ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries an α-configured hydroxy group at C-2.

> <STAR>
3

> <SYNONYM>
ent-isokauren-2beta-ol; Ent-isokauren-2-beta-ol; ent-2beta-hydroxyisokaurene; 5beta,8alpha,9beta,10alpha,13alpha-kaur-15-en-2alpha-ol

> <IUPAC_NAME>
(2S,4aR,6aS,9R,11aS,11bR)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,9,10,11,11a,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalen-2-ol

> <FORMULA>
C20H32O

> <MASS>
288.468

> <MONOISOTOPIC_MASS>
288.24532

> <CHARGE>
0

> <SMILES>
C1[C@]2([C@@]3(CC[C@H]4C(=C[C@]3(CC[C@@]2(C(C[C@@H]1O)(C)C)[H])C4)C)[H])C

> <INCHI>
InChI=1S/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15+,16-,17+,19-,20-/m1/s1

> <INCHIKEY>
KMRGROLDAASNIW-UELOQWINSA-N

> <METACYC_ACCESSION>
CPD-20323

> <PUBMED_CITATION>
21985968; 25758958

$$$$