Chem
J-GLOBAL ID:200907018386841655
Nikkaji number:J2.655.607D
6-Oxo-11-hydroxytotarol
6-オキソ-11-ヒドロキシトタロール
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Substance type:
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
Molecular formula:
C20 H28 O3
Molecular formula furigana:
C20-H28-O3
Molecular weight:
316.441
InChI:
InChI=1S/C20H28O3/c1-11(2)16-12-9-15(22)18-19(3,4)7-6-8-20(18,5)13(12)10-14(21)17(16)23/h10-11,18,21,23H,6-9H2,1-5H3/t18-,20+/m0/s1
InChI key:
AGMQQKFSVHDWRP-AZUAARDMSA-N
SMILES:
CC(C)c1c(O)c(O)cc2c1CC(=O)[C@H]1C(C)(C)CCC[C@]21C
Systematic name (4):
12,13-ジヒドロキシトタラン-8,11,13-トリエン-6-オン
12,13-ジヒドロキシトタラ-8,11,13-トリエン-6-オン
(4bS,8aS)-2,3-ジヒドロキシ-4b,8,8-トリメチル-1-(プロパン-2-イル)-4b,5,6,7,8,8a,9,10-オクタヒドロフェナントレン-9-オン
(4bS,8aS)-2,3-dihydroxy-4b,8,8-trimethyl-1-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-one
Other name (4):
12,13-Dihydroxytotarane-8,11,13-triene-6-one
6-オキソ-11-ヒドロキシトタロール
6-Oxo-11-hydroxytotarol
12,13-Dihydroxytotara-8,11,13-triene-6-one
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