Chem
J-GLOBAL ID：200907088360491905   Nikkaji number：J767.170I

Cycloartan-23-ene-3β,25-diol 3-acetate

シクロアルタン-23-エン-3β,25-ジオール3-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： C32H52O3
Molecular formula furigana： C32-H52-O3
Molecular weight： 484.765
InChI： InChI=1S/C32H52O3/c1-21(10-9-15-27(3,4)34)23-13-16-30(8)25-12-11-24-28(5,6)26(35-22(2)33)14-17-31(24)20-32(25,31)19-18-29(23,30)7/h9,15,21,23-26,34H,10-14,16-20H2,1-8H3/t21-,23-,24+,25+,26+,29-,30+,31-,32+/m1/s1
InChI key： PFVNANMTCLAEEE-VEKGNEFASA-N
SMILES： C[C@H](CC=CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)C)C4(C)C
Systematic name  (3)：
  • シクロアルタン-23-エン-3β,25-ジオール3-アセタート
  • (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-ヒドロキシ-6-メチルヘプタ-4-エン-2-イル]-7,7,12,16-テトラメチルペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-6-イル アセタート
  • (1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-yl acetate
Other name (1)：
  • Cycloartan-23-ene-3β,25-diol 3-acetate
Thsaurus map：
Thesaurus Map

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