Chem
J-GLOBAL ID：201807002609907072   Nikkaji number：J3.729.075K

2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}benzoic acid

2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イル]オキシ}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： C34H50O3
Molecular formula furigana： C34-H50-O3
Molecular weight： 506.771
InChI： InChI=1S/C34H50O3/c1-22(2)9-8-10-23(3)28-15-16-29-26-14-13-24-21-25(37-31-12-7-6-11-27(31)32(35)36)17-19-33(24,4)30(26)18-20-34(28,29)5/h6-7,11-13,22-23,25-26,28-30H,8-10,14-21H2,1-5H3,(H,35,36)/t23-,25+,26+,28-,29+,30+,33+,34-/m1/s1
InChI key： CCPIIMSPFHANSD-UFTZJYGHSA-N
SMILES： c1(C(=O)O)c(cccc1)O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@@]4([C@H](CC[C@@H]34)[C@H](C)CCCC(C)C)C)[C@]2(CC1)C
Systematic name  (3)：
  • 2-[[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ]安息香酸
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}安息香酸
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}benzoic acid
Other name (2)：
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-シクロペンタ[a]フェナントレン-7-イル]オキシ}安息香酸
  • 2-{[(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}benzoic acid
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