Cholesterol, H-3

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Basic information

CAS: 17822-79-6
Standard SMILES: [3H]C1C([3H])[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C[C@H]1O
InChIKey: HVYWMOMLDIMFJA-OZXVBKCJSA-N
Molecular formula: C27H46O
Average molar mass: 390.7 g/mol
Monoisotopic mass: 390.37131459

Overview

See also: Cholesterol (annotation moved to); Tachysterol (annotation moved to).

Names & identifiers

Preferred name: Cholesterol, H-3
IUPAC: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2-ditritio-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Names & synonyms

Cholesterol, H-317822-79-63h-cholesterolE826648RKNH3-CHOLESTEROLCholest-5-en-1,2-t2-3-ol, (3beta)-UNII-E826648RKNCHOLESTEROL-1,2-3H2SCHEMBL29440971DTXSID30939056(1,2-~3~H_2_)Cholest-5-en-3-ol(1,2-~3~H_2_)Cholest-5-en-3beta-ol

Show more names

CHOLEST-5-EN-1,2-T2-3-OL, (3.BETA.)-

Database identifiers

CAS: 17822-79-6
PubChem CID: 167677
DTXSID: DTXSID30939056
UNII: E826648RKN

Properties

Computed structural properties

XLogP: 8.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 591

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Compound notes

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