8-Dehydrocholesterol | CAS 70741-38-7 | AnyMole

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HIT212726463

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HIT212726463

HIT ID:HIT212726463
Cas No:70741-38-7
常用名:8-Dehydrocholesterol
IUPAC:(1R,3aR,7S,9aS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(1R,3aR,7S,9aS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:VUKORTMHZDZZFR-BXAZICILSA-N

分子式:C27H44O
分子量:384.648
氢键供体数 (HBD):1
氢键受体数 (HBA):1
LogP:6.663652
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3 |c:12,28|
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3 |c:12,28|

8-Dehydrocholesterol is a compound whose elevated concentration is a diagnostic biochemical hallmark of classical Smith-Lemli-Opitz syndrome.

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