Chem
J-GLOBAL ID：201207079734471624
Nikkaji number：J3.029.151D
(17S)-3β-Acetoxy-17,18-secolupa-19(21)-ene-18,22-dione
(17S)-3β-アセトキシ-17,18-セコルパ-19(21)-エン-18,22-ジオン
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： C32H50O4
Molecular formula furigana： C32-H50-O4
Molecular weight： 498.748
InChI：
InChI=1S/C32H50O4/c1-19(2)22-18-24(34)20(3)12-16-31(8)23(28(22)35)10-11-26-30(7)15-14-27(36-21(4)33)29(5,6)25(30)13-17-32(26,31)9/h18-20,23,25-27H,10-17H2,1-9H3/t20-,23+,25-,26+,27-,30-,31+,32+/m0/s1
InChI key：
LCHUSNRBTMBIFF-NZZZAOPHSA-N
SMILES：
CC(C)C1=CC(=O)[C@@H](C)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC[C@@]23C)C1=O
Systematic name (3)：
- (17S)-3β-アセトキシ-17,18-セコルパ-19(21)-エン-18,22-ジオン
- (2S,4aR,4bR,6aS,11S,13aR,13bR,15aR)-1,1,4a,11,13a,13b-ヘキサメチル-7,10-ジオキソ-8-(プロパン-2-イル)-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,7H,10H,11H,12H,13H,13aH,13bH,14H,15H,15aH-シクロノナ[a]フェナントレン-2-イル アセタート
- (2S,4aR,4bR,6aS,11S,13aR,13bR,15aR)-1,1,4a,11,13a,13b-hexamethyl-7,10-dioxo-8-(propan-2-yl)-1H,2H,3H,4H,4aH,4bH,5H,6H,6aH,7H,10H,11H,12H,13H,13aH,13bH,14H,15H,15aH-cyclonona[a]phenanthren-2-yl acetate
- (17S)-3β-Acetoxy-17,18-secolupa-19(21)-ene-18,22-dione
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