Chem
J-GLOBAL ID:200907027256805770   Nikkaji number:J903.640G

5-Hydroperoxy-7α-tert-butoxy-6-oxa-B-homo-5α-cholestan-3β-ol acetate

5-ヒドロペルオキシ-7α-tert-ブトキシ-6-オキサ-B-ホモ-5α-コレスタン-3β-オールアセタート
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: C33H58O6
Molecular formula furigana: C33-H58-O6
Molecular weight: 550.821
InChI: InChI=1S/C33H58O6/c1-21(2)11-10-12-22(3)26-13-14-27-25-19-29(37-30(5,6)7)38-33(39-35)20-24(36-23(4)34)15-18-32(33,9)28(25)16-17-31(26,27)8/h21-22,24-29,35H,10-20H2,1-9H3/t22-,24+,25+,26-,27+,28+,29-,31-,32-,33-/m1/s1
InChI key: YVIAFJGRQMKLMP-PCISAJDYSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(C)(C)C)O[C@]4(C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)OO
Systematic name  (3):
  • 5-ヒドロペルオキシ-7α-tert-ブトキシ-6-オキサ-B-ホモ-5α-コレスタン-3β-オールアセタート
  • (1S,2R,5S,7R,9R,11S,12S,15R,16R)-9-(tert-ブトキシ)-7-ヒドロペルオキシ-2,16-ジメチル-15-[(2R)-6-メチルヘプタン-2-イル]-8-オキサテトラシクロ[9.7.0.02,7.012,16]オクタデカン-5-イル アセタート
  • (1S,2R,5S,7R,9R,11S,12S,15R,16R)-9-(tert-butoxy)-7-hydroperoxy-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxatetracyclo[9.7.0.02,7.012,16]octadecan-5-yl acetate
Other name (1):
  • 5-Hydroperoxy-7α-tert-butoxy-6-oxa-B-homo-5α-cholestan-3β-ol acetate
Thsaurus map:

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