Chem
J-GLOBAL ID:200907027592844058   Nikkaji number:J530.218H

11-Oxo-5,6-bis(benzoyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecene-4-methanol 4-(4-bromobenzoate)

[4,6-ビス(ベンゾイルオキシ)-5-ヒドロキシ-3,11,11,14-テトラメチル-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-7-イル]メチル 4-ブロモベンゾアート
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: C41H39BrO8
Molecular formula furigana: C41-H39-BR-O8
Molecular weight: 739.659
InChI: InChI=1S/C41H39BrO8/c1-23-21-40-24(2)19-31-32(39(31,3)4)30(33(40)43)20-28(22-48-36(44)27-15-17-29(42)18-16-27)35(50-38(46)26-13-9-6-10-14-26)41(40,47)34(23)49-37(45)25-11-7-5-8-12-25/h5-18,20-21,24,30-32,34-35,47H,19,22H2,1-4H3
InChI key: RRLFDDQIZLLPIQ-UHFFFAOYSA-N
SMILES: CC1CC2C(C3C=C(COC(=O)c4ccc(Br)cc4)C(OC(=O)c4ccccc4)C4(O)C(OC(=O)c5ccccc5)C(=CC14C3=O)C)C2(C)C
Systematic name  (3):
  • 11-オキソ-5,6-ビス(ベンゾイルオキシ)-1a,2,5,5a,6,9,10,10a-オクタヒドロ-5a-ヒドロキシ-1,1,7,9-テトラメチル-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-4-メタノール4-(4-ブロモベンゾアート)
  • [4,6-ビス(ベンゾイルオキシ)-5-ヒドロキシ-3,11,11,14-テトラメチル-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-7-イル]メチル 4-ブロモベンゾアート
  • [4,6-bis(benzoyloxy)-5-hydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-7-yl]methyl 4-bromobenzoate
Other name (1):
  • 11-Oxo-5,6-bis(benzoyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5a-hydroxy-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecene-4-methanol 4-(4-bromobenzoate)
CAS registry number: 77573-26-3
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