Chem
J-GLOBAL ID：200907026406109428   Nikkaji number：J83.549H

Stigmasta-3,5-dien-7-one

スチグマスタ-3,5-ジエン-7-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： C29H46O
Molecular formula furigana： C29-H46-O
Molecular weight： 410.686
InChI： InChI=1S/C29H46O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10,18-21,23-25,27H,7,9,11-17H2,1-6H3/t20-,21-,23-,24+,25+,27+,28+,29-/m1/s1
InChI key： LCFUUGFUQQAYMY-CJAQKTMASA-N
SMILES： CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC=CC1=CC3=O)C(C)C
Systematic name  (3)：
  • スチグマスタ-3,5-ジエン-7-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-エチル-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
Other name (5)：
  • β-サッカロステノン
  • トレムロン
  • Tremulone
  • β-Saccharostenone
  • Stigmasta-3,5-dien-7-one
CAS registry number： 2034-72-2
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