Chem
J-GLOBAL ID:200907069245489641
Nikkaji number:J1.960.270B
7α-Hydroxy[2,2,3,4,4,6-2 H6 ]cholesterol
[2,2,3,4,4,6-2 H6 ]-7α-ヒドロキシコレステロール
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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 H40 [2 H]6 O2
Molecular formula furigana:
C27-H46-O2
Molecular weight:
408.700
InChI:
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1/i11D2,15D2,16D,20D
InChI key:
OYXZMSRRJOYLLO-AFVFQNOSSA-N
SMILES:
C1(=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2[C@@H]1O)[C@H](C)CCCC(C)C)[2H]
Systematic name (3):
7α-ヒドロキシ[2,2,3,4,4,6-2 H6 ]コレステロール
(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル](5,6,6,7,8,8-2 H6 )-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-4,7-ジオール
(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl](5,6,6,7,8,8-2 H6 )-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol
Other name (3):
7α-Hydroxy[2,2,3,4,4,6-2 H6 ]cholesterol
[2,2,3,4,4,6-2 H6 ]-7α-ヒドロキシコレステロール
[2,2,3,4,4,6-2 H6 ]-7α-Hydroxycholesterol
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