Chem
J-GLOBAL ID：200907022271424489
Nikkaji number：J1.043.028C
Kansuiphorin D
カンスイホリンD
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： C29H34O6
Molecular formula furigana： C29-H34-O6
Molecular weight： 478.585
InChI：
InChI=1S/C29H34O6/c1-15-12-20-22-21(27(22,5)6)13-17(3)28(23(20)31)14-16(2)25(29(28,33)24(15)34-18(4)30)35-26(32)19-10-8-7-9-11-19/h7-12,14,17,20-22,24-25,33H,13H2,1-6H3/t17-,20-,21?,22+,24-,25+,28?,29+/m1/s1
InChI key：
FXISXCYGAICATP-AGMGSYHFSA-N
SMILES：
C[C@@H]1CC2[C@H]([C@H]3C=C(C)[C@@H](OC(=O)C)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(=CC14C3=O)C)C2(C)C
Systematic name (3)：
- (1aR)-1,1,4,7,9α-ペンタメチル-5β-アセトキシ-5aβ-ヒドロキシ-6β-(ベンゾイルオキシ)-1aα,2β,5,5a,6,9,10,10a-オクタヒドロ-1H-2,8a-メタノシクロペンタ[a]シクロプロパ[e]シクロデセン-11-オン
- (4S,5S,6R,9R,10R,14R)-6-(アセチルオキシ)-5-ヒドロキシ-3,7,11,11,14-ペンタメチル-15-オキソテトラシクロ[7.5.1.01,5.010,12]ペンタデカ-2,7-ジエン-4-イル ベンゾアート
- (4S,5S,6R,9R,10R,14R)-6-(acetyloxy)-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl benzoate
- (1aR)-1,1,4,7,9α-Pentamethyl-5β-acetoxy-5aβ-hydroxy-6β-(benzoyloxy)-1aα,2β,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecene-11-one
- カンスイホリンD
- Kansuiphorin D
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