Chem
J-GLOBAL ID：200907073593584213   Nikkaji number：J1.151.021C

4,4-Dimethylstigmast-3-ol 3-(4-hydroxy-3-methoxyphenyl)propenoate

4,4-ジメチルスチグマスタ-3-オール3-(4-ヒドロキシ-3-メトキシフェニル)プロペノアート
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： C41H64O4
Molecular formula furigana： C41-H64-O4
Molecular weight： 620.959
InChI： InChI=1S/C41H64O4/c1-10-29(26(2)3)14-11-27(4)31-16-17-32-30-15-19-36-39(5,6)37(22-24-41(36,8)33(30)21-23-40(31,32)7)45-38(43)20-13-28-12-18-34(42)35(25-28)44-9/h12-13,18,20,25-27,29-33,36-37,42H,10-11,14-17,19,21-24H2,1-9H3/t27-,29-,30+,31-,32+,33+,36?,37?,40-,41-/m1/s1
InChI key： NFSSSECUYHSDKU-OPRNNJPBSA-N
SMILES： CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C(C)(C)C(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C=Cc1ccc(O)c(OC)c1)C(C)C
Systematic name  (3)：
  • 4,4-ジメチルスチグマスタ-3-オール3-(4-ヒドロキシ-3-メトキシフェニル)プロペノアート
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-エチル-6-メチルヘプタン-2-イル]-6,6,9a,11a-テトラメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル 3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6,6,9a,11a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (1)：
  • 4,4-Dimethylstigmast-3-ol 3-(4-hydroxy-3-methoxyphenyl)propenoate
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM