Chem
J-GLOBAL ID：200907078791169177
Nikkaji number：J2.535.310B
12-Isopropyl-13,19-dihydroxy-14-deisopropyltotarane-8,11,13-triene-7-one
12-イソプロピル-13,19-ジヒドロキシ-14-デイソプロピルトタラン-8,11,13-トリエン-7-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C20H28O3
Molecular formula furigana： C20-H28-O3
Molecular weight： 316.441
InChI：
InChI=1S/C20H28O3/c1-12(2)13-8-15-14(9-16(13)22)17(23)10-18-19(3,11-21)6-5-7-20(15,18)4/h8-9,12,18,21-22H,5-7,10-11H2,1-4H3/t18-,19+,20+/m0/s1
InChI key：
YEIDDNMJKQNSFM-XUVXKRRUSA-N
SMILES：
CC(C)c1cc2c(cc1O)C(=O)C[C@H]1[C@@](C)(CO)CCC[C@]21C
Systematic name (5)：
- 13,19-ジヒドロキシ-12-イソプロピル-15,16,17-トリノルトタラ-8(14),9(11),12-トリエン-7-オン
- 12-イソプロピル-13,19-ジヒドロキシ-14-デイソプロピルトタラン-8,11,13-トリエン-7-オン
- 1β-(ヒドロキシメチル)-1,4aβ-ジメチル-6-イソプロピル-7-ヒドロキシ-1,2,3,4,4a,10aα-ヘキサヒドロフェナントレン-9(10H)-オン
- (1S,4aS,10aR)-7-ヒドロキシ-1-(ヒドロキシメチル)-1,4a-ジメチル-6-(プロパン-2-イル)-1,2,3,4,4a,9,10,10a-オクタヒドロフェナントレン-9-オン
- (1S,4aS,10aR)-7-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-one
- 13,19-Dihydroxy-12-isopropyl-15,16,17-trinortotara-8(14),9(11),12-triene-7-one
- 12-Isopropyl-13,19-dihydroxy-14-deisopropyltotarane-8,11,13-triene-7-one
- 1β-(Hydroxymethyl)-1,4aβ-dimethyl-6-isopropyl-7-hydroxy-1,2,3,4,4a,10aα-hexahydrophenanthrene-9(10H)-one
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