Chem
J-GLOBAL ID:201207092525161053
Nikkaji number:J3.029.147F
3β-Acetoxy-11-(hydroperoxymethylene)-5α-lupa-12-ene
3β-アセトキシ-11-(ヒドロペルオキシメチレン)-5α-ルパ-12-エン
Download MOL file
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:
C33 H52 O4
Molecular formula furigana:
C33-H52-O4
Molecular weight:
512.775
InChI:
InChI=1S/C33H52O4/c1-20(2)23-10-13-30(6)16-17-32(8)24(27(23)30)18-22(19-36-35)28-31(7)14-12-26(37-21(3)34)29(4,5)25(31)11-15-33(28,32)9/h18-20,23,25-28,35H,10-17H2,1-9H3/t23-,25-,26-,27+,28+,30+,31-,32+,33+/m0/s1
InChI key:
DCKJCAVGMKLLBT-HMNHJLHQSA-N
SMILES:
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=COO)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
Systematic name (3):
3β-アセトキシ-11-(ヒドロペルオキシメチレン)-5α-ルパ-12-エン
(1S,3aR,5aS,5bR,7aR,9S,11aS,11bR,13bS)-12-(ヒドロペルオキシメチリデン)-3a,5a,5b,8,8,11a-ヘキサメチル-1-(プロパン-2-イル)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13bH-シクロペンタ[a]クリセン-9-イル アセタート
(1S,3aR,5aS,5bR,7aR,9S,11aS,11bR,13bS)-12-(hydroperoxymethylidene)-3a,5a,5b,8,8,11a-hexamethyl-1-(propan-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13bH-cyclopenta[a]chrysen-9-yl acetate
Other name (1):
3β-Acetoxy-11-(hydroperoxymethylene)-5α-lupa-12-ene
Thsaurus map:
Return to Previous Page