Chem
J-GLOBAL ID:200907093183871496
Nikkaji number:J676.107K
7α-Hydroxy-3-oxo-4-cholestenoate
7α-ヒドロキシ-3-オキソ-4-コレスタン酸
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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:
C27 H42 O4
Molecular formula furigana:
C27-H42-O4
Molecular weight:
430.629
InChI:
InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChI key:
SATGKQGFUDXGAX-MYWFJNCASA-N
SMILES:
C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name (5):
7α-ヒドロキシ-3-オキソコレスタ-4-エン-26-酸
3-オキソ-7α-ヒドロキシコレスタ-4-エン-26-酸
7α-ヒドロキシ-3-オキソコレスタ-4-エン-27-酸
(6R)-6-[(1R,3aS,3bS,4R,9aR,9bS,11aR)-4-ヒドロキシ-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-メチルヘプタン酸
(6R)-6-[(1R,3aS,3bS,4R,9aR,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
Other name (8):
3-Oxo-7α-hydroxycholest-4-en-26-oic acid
7α-Hydroxy-3-oxocholest-4-en-26-oic acid
7α-ヒドロキシ-3-オキソ-4-コレスタン酸
7α-Hydroxy-3-oxo-4-cholestanoic acid
7α-ヒドロキシ-3-オキソ-4-コレステン酸
7α-Hydroxy-3-oxo-4-cholestenoic acid
7α-Hydroxy-3-oxocholest-4-en-27-oic acid
7α-Hydroxy-3-oxo-4-cholestenoate
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CAS registry number:
115538-85-7
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