Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(OC[C@@H]1CC(OP(=O)(OC[C@@H]2CC(OP(=O)(OC[C@H]3O[C@H]([C@H](OC(=O)OCC4=CC=C(C=C4)[N+]([O-])=O)[C@@H]3OCCOCCOC(=O)OC3CC[C@@]4(C)C5CC[C@@]6(C)C(CCC6C5CC=C4C3)[C@H](C)CCCC(C)C)N3C=NC4=C3N=CN=C4NC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)OOCC3=CC=C(C=C3)[N+]([O-])=O)[C@@H](O2)N2C=NC3=C2N=CN=C3NC(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)OOC2=CC=C(C=C2)[N+]([O-])=O)[C@@H](O1)N1C=NC2=C1N=CN=C2NC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=RCKJIVWTCMHITM-ZESIHTPESA-N

Formula

C127H133N21O41P2

Mass

2671.515

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cholestane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Cholesterols and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cholesterol - Steroidal glycoside - Purine deoxyribonucleoside 2',5'-bisphosphate - Purine deoxyribonucleoside bisphosphate - Purine ribonucleoside monophosphate - Triphenyl compound - Delta-5-steroid - Pentose phosphate - Pentose-5-phosphate - N-glycosyl compound - Glycosyl compound - Benzyloxycarbonyl - Monosaccharide phosphate - Purine - Benzylether - Nitrobenzene - Imidazopyrimidine - Methoxybenzene - Phenol ether - Nitroaromatic compound - Anisole - Phenoxy compound - Dialkyl phosphate - Alkyl aryl ether - Pyrimidine - Organic phosphoric acid derivative - Monocyclic benzene moiety - Alkyl phosphate - N-substituted imidazole - Phosphoric acid ester - Carbonic acid diester - Benzenoid - Monosaccharide - Imidolactam - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Oxolane - Carbonic acid derivative - C-nitro compound - Organic nitro compound - Organic oxoazanium - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic zwitterion - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.

External Descriptors

Not available

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