Chem
J-GLOBAL ID:200907026567948373   Nikkaji number:J1.010.672I

(20S,22R,25R)-6β-Hydroperoxy-16β,22-epoxy-22,26-methano-23-oxacholesta-4-ene-3β-ol acetate

(20S,22R,25R)-6β-ヒドロペルオキシ-16β,22-エポキシ-22,26-メタノ-23-オキサコレスタ-4-エン-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: C29H44O6
Molecular formula furigana: C29-H44-O6
Molecular weight: 488.665
InChI: InChI=1S/C29H44O6/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(35-31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h12,16-17,19-22,24-26,31H,6-11,13-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27-,28+,29-/m1/s1
InChI key: MCXHJQBJWWKOOZ-IJYMGCSESA-N
SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](OO)C5=C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)OC(=O)C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3):
  • (20S,22R,25R)-6β-ヒドロペルオキシ-16β,22-エポキシ-22,26-メタノ-23-オキサコレスタ-4-エン-3β-オールアセタート
  • (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,19'R)-19'-ヒドロペルオキシ-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-17'-エン-16'-イル アセタート
  • (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S,19'R)-19'-hydroperoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-17'-en-16'-yl acetate
Other name (1):
  • (20S,22R,25R)-6β-Hydroperoxy-16β,22-epoxy-22,26-methano-23-oxacholesta-4-ene-3β-ol acetate
Thsaurus map:

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