Chem
J-GLOBAL ID:200907032604064650
Nikkaji number:J16.486K
Iodocholesterol I-131
ヨードコレステロールI-131
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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 H45 [131 I]O
Molecular formula furigana:
C27-H45-I-O
Molecular weight:
516.562
InChI:
InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1/i28+4
InChI key:
FIOAEFCJGZJUPW-ODFYUTSGSA-N
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C[131I])[C@H]3CC[C@]12C
Systematic name (3):
19-(131 I)ヨードコレスタ-5-エン-3β-オール
(1R,3aS,3bS,7S,9aS,9bS,11aR)-9a-[(131 I)ヨードメチル]-11a-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-オール
(1R,3aS,3bS,7S,9aS,9bS,11aR)-9a-[(131 I)iodomethyl]-11a-methyl-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-ol
Other name (3):
ヨードコレステロールI-131
Iodocholesterol I-131
19-(131 I)Iodocholest-5-en-3β-ol
CAS registry number:
42220-21-3
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