FAIRMD Lipids

Lipid 18,19-di-nor-cholesterol

Name	18,19-di-nor-cholesterol
Molecule	DCHOL
Used in:	Browse Experiments/Simulations Browse Simulations with Quality
Image
Show on GitHub	Molecules/membrane/DCHOL main

Property	Value
iupacName	(3S,8S,9S,10R,13R,14R,17R)-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
smiles	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@H]1CC[C@H]3[C@H]2CC=C4[C@@H]3CC[C@@H](C4)O
inChI	InChI=1S/C25H42O/c1-16(2)5-4-6-17(3)20-11-12-25-22(20)13-14-23-21-10-8-19(26)15-18(21)7-9-24(23)25/h7,16-17,19-26H,4-6,8-15H2,1-3H3/t17-,19+,20-,21+,22-,23-,24-,25-/m1/s1
inChIKey	RRRDVXINMOMAEE-ZGVAJZRXSA-N
molecularFormula	C25H42O
molecularWeight	358.6
image	https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=102149882&t=l

Database	External ID
pubchem.compound	102149882

⏵ View JSON

{
    "@context": "https://schema.org/",
    "@type": "MolecularEntity",
    "@id": "https://databank.nmrlipids.fi/lipid/9",
    "http://purl.org/dc/terms/conformsTo": {
        "@id": "https://bioschemas.org/profiles/MolecularEntity/0.5-RELEASE",
        "@type": "CreativeWork"
    },
    "name": "18,19-di-nor-cholesterol",
    "url": "https://databank.nmrlipids.fi/lipid/9",
    "inChI": "InChI=1S/C25H42O/c1-16(2)5-4-6-17(3)20-11-12-25-22(20)13-14-23-21-10-8-19(26)15-18(21)7-9-24(23)25/h7,16-17,19-26H,4-6,8-15H2,1-3H3/t17-,19+,20-,21+,22-,23-,24-,25-/m1/s1",
    "inChIKey": "RRRDVXINMOMAEE-ZGVAJZRXSA-N",
    "iupacName": "(3S,8S,9S,10R,13R,14R,17R)-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",
    "molecularFormula": "C25H42O",
    "smiles": "C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@H]1CC[C@H]3[C@H]2CC=C4[C@@H]3CC[C@@H](C4)O",
    "alternateName": [],
    "image": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=102149882&t=l",
    "sameAs": [
        "https://identifiers.org/pubchem.compound/102149882"
    ]
}