Chem
J-GLOBAL ID：200907095161379876   Nikkaji number：J2.258.648C

(25R)-5,26-Dicyano-5β-furosta-20(22)-ene-3-one

(25R)-5,26-ジシアノ-5β-フロスタ-20(22)-エン-3-オン
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： C29H40N2O2
Molecular formula furigana： C29-H40-N2-O2
Molecular weight： 448.651
InChI： InChI=1S/C29H40N2O2/c1-18(10-14-30)5-6-24-19(2)26-25(33-24)15-23-21-8-13-29(17-31)16-20(32)7-12-28(29,4)22(21)9-11-27(23,26)3/h18,21-23,25-26H,5-13,15-16H2,1-4H3/t18-,21-,22+,23+,25+,26+,27+,28-,29-/m1/s1
InChI key： JFUJYVNZZVWGRA-CWJAJBKZSA-N
SMILES： C[C@H](CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@]5(CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C#N)O1)CC#N
Systematic name  (3)：
  • (25R)-5,26-ジシアノ-5β-フロスタ-20(22)-エン-3-オン
  • (1S,2S,4S,8S,9S,12S,13R,18S)-6-[(3R)-4-シアノ-3-メチルブチル]-7,9,13-トリメチル-16-オキソ-5-オキサペンタシクロ[10.8.0.02,9.04,8.013,18]イコサ-6-エン-18-カルボニトリル
  • (1S,2S,4S,8S,9S,12S,13R,18S)-6-[(3R)-4-cyano-3-methylbutyl]-7,9,13-trimethyl-16-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-ene-18-carbonitrile
Other name (1)：
  • (25R)-5,26-Dicyano-5β-furosta-20(22)-ene-3-one
Thsaurus map：
Thesaurus Map

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