Chem
J-GLOBAL ID：200907058178726020
Nikkaji number：J2.460.069F
3β,13,19-Trihydroxytotarane-8,11,13-triene
3β,13,19-トリヒドロキシトタラン-8,11,13-トリエン
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI：
InChI=1S/C20H30O3/c1-12(2)18-13-5-8-16-19(3,14(13)6-7-15(18)22)10-9-17(23)20(16,4)11-21/h6-7,12,16-17,21-23H,5,8-11H2,1-4H3/t16-,17+,19-,20-/m1/s1
InChI key：
KCPIGBWFJTZVNL-PIKOESSRSA-N
SMILES：
CC(C)c1c(O)ccc2c1CC[C@H]1[C@@](C)(CO)[C@@H](O)CC[C@]21C
Systematic name (5)：
- 3β,13,19-トリヒドロキシトタラ-8(14),9(11),12-トリエン
- 3β,13,19-トリヒドロキシトタラン-8,11,13-トリエン
- 1β-(ヒドロキシメチル)-1,4aβ-ジメチル-8-イソプロピル-1,2,3,4,4a,9,10,10aα-オクタヒドロフェナントレン-2β,7-ジオール
- (1S,2S,4aS,10aR)-1-(ヒドロキシメチル)-1,4a-ジメチル-8-(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-2,7-ジオール
- (1S,2S,4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-8-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol
- 3β,13,19-Trihydroxytotara-8(14),9(11),12-triene
- 3β,13,19-Trihydroxytotarane-8,11,13-triene
- 1β-(Hydroxymethyl)-1,4aβ-dimethyl-8-isopropyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-2β,7-diol
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