Chem
J-GLOBAL ID：200907019288294855   Nikkaji number：J1.112.579D

3-[(1R)-1β,2α,4bβ,8,8-Pentamethyl-1,2,3,4b,5,6,7,8,8aα,9,10,10aα-dodecahydro-7β-hydroxyphenanthrene-1-yl]-4-hydroxybenzoic acid

3-[(1R)-1β,2α,4bβ,8,8-ペンタメチル-1,2,3,4b,5,6,7,8,8aα,9,10,10aα-ドデカヒドロ-7β-ヒドロキシフェナントレン-1-イル]-4-ヒドロキシ安息香酸
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： C26H36O4
Molecular formula furigana： C26-H36-O4
Molecular weight： 412.570
InChI： InChI=1S/C26H36O4/c1-15-6-8-17-18(9-11-21-24(2,3)22(28)12-13-25(17,21)4)26(15,5)19-14-16(23(29)30)7-10-20(19)27/h7-8,10,14-15,18,21-22,27-28H,6,9,11-13H2,1-5H3,(H,29,30)/t15-,18-,21-,22-,25+,26-/m1/s1
InChI key： VFFVTRUZVOVBBU-VGUMLNCLSA-N
SMILES： C[C@@H]1CC=C2[C@@H](CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)[C@]1(C)c1cc(ccc1O)C(=O)O
Systematic name  (3)：
  • 3-[(1R)-1β,2α,4bβ,8,8-ペンタメチル-1,2,3,4b,5,6,7,8,8aα,9,10,10aα-ドデカヒドロ-7β-ヒドロキシフェナントレン-1-イル]-4-ヒドロキシ安息香酸
  • 3-[(1R,2R,4bR,7R,8aS,10aR)-7-ヒドロキシ-1,2,4b,8,8-ペンタメチル-1,2,3,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-イル]-4-ヒドロキシ安息香酸
  • 3-[(1R,2R,4bR,7R,8aS,10aR)-7-hydroxy-1,2,4b,8,8-pentamethyl-1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-4-hydroxybenzoic acid
Other name (1)：
  • 3-[(1R)-1β,2α,4bβ,8,8-Pentamethyl-1,2,3,4b,5,6,7,8,8aα,9,10,10aα-dodecahydro-7β-hydroxyphenanthrene-1-yl]-4-hydroxybenzoic acid
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