Chem
J-GLOBAL ID：200907063188597515   Nikkaji number：J1.310.941I

3α-Hydroxy-7,11,23-trioxo-5α-lanosta-8-ene-26-oic acid

3α-ヒドロキシ-7,11,23-トリオキソ-5α-ラノスタ-8-エン-26-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： C30H44O6
Molecular formula furigana： C30-H44-O6
Molecular weight： 500.676
InChI： InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)19-8-11-29(6)25-20(32)14-22-27(3,4)23(34)9-10-28(22,5)24(25)21(33)15-30(19,29)7/h16-17,19,22-23,34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,19-,22+,23-,28+,29+,30-/m1/s1
InChI key： KRHQCSNBXJQQIH-SHUOBGFGSA-N
SMILES： C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3=O
Systematic name  (3)：
  • 3α-ヒドロキシ-7,11,23-トリオキソ-5α-ラノスタ-8-エン-26-酸
  • (6R)-6-[(1R,3aR,5aR,7R,9aS,11aR)-7-ヒドロキシ-3a,6,6,9a,11a-ペンタメチル-4,10-ジオキソ-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-メチル-4-オキソヘプタン酸
  • (6R)-6-[(1R,3aR,5aR,7R,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid
Other name (1)：
  • 3α-Hydroxy-7,11,23-trioxo-5α-lanosta-8-ene-26-oic acid
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